Showing metabocard for PGL K8 (MMDBc0002304)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Detected and Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2021-05-14 20:45:38 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2022-08-31 06:19:12 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite ID | MMDBc0002304 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | PGL K8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | PGL K8 belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review very few articles have been published on PGL K8. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for #<Metabolite:0x00007fdb2c069c08>Mrv1652305142122452D 92 95 0 0 1 0 999 V2000 2.6961 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 9.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 11.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 19.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 9.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 15.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 12.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 19.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 16.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 17.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 12.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 19.1881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9664 16.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4414 17.7592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3289 18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 15.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 17.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4414 16.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 17.7592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1414 14.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6164 16.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3289 19.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 10.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 11.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3289 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 14.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 12.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 12.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 14.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 12.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 10.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 10.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 19.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 18.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 13.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 14.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 11.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 19.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 16.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 17.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 18.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 15.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 17.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 14.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 16.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 14.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 15.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 3 1 0 0 0 0 18 17 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 29 4 1 0 0 0 0 29 21 1 0 0 0 0 30 5 1 0 0 0 0 30 19 1 0 0 0 0 31 6 1 0 0 0 0 31 20 1 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 9 1 0 0 0 0 35 23 2 0 0 0 0 35 24 1 0 0 0 0 35 27 1 0 0 0 0 36 25 2 0 0 0 0 36 26 1 0 0 0 0 37 22 1 0 0 0 0 37 28 1 0 0 0 0 38 27 1 0 0 0 0 38 28 1 0 0 0 0 39 16 1 0 0 0 0 39 29 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 34 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 30 1 0 0 0 0 50 31 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 40 54 1 1 0 0 0 41 55 1 6 0 0 0 42 56 1 6 0 0 0 57 43 1 0 0 0 0 58 49 2 0 0 0 0 59 50 2 0 0 0 0 60 10 1 0 0 0 0 60 39 1 0 0 0 0 61 11 1 0 0 0 0 61 46 1 0 0 0 0 62 12 1 0 0 0 0 62 47 1 0 0 0 0 63 13 1 0 0 0 0 63 48 1 0 0 0 0 64 32 1 0 0 0 0 64 51 1 0 0 0 0 65 33 1 0 0 0 0 65 52 1 0 0 0 0 66 34 1 0 0 0 0 66 53 1 0 0 0 0 67 37 1 0 0 0 0 67 49 1 0 0 0 0 68 38 1 0 0 0 0 68 50 1 0 0 0 0 69 36 1 0 0 0 0 52 69 1 6 0 0 0 70 45 1 0 0 0 0 51 70 1 6 0 0 0 71 44 1 0 0 0 0 53 71 1 6 0 0 0 72 29 1 0 0 0 0 73 30 1 0 0 0 0 74 31 1 0 0 0 0 75 32 1 0 0 0 0 76 33 1 0 0 0 0 77 34 1 0 0 0 0 78 37 1 0 0 0 0 79 38 1 0 0 0 0 80 39 1 0 0 0 0 40 81 1 6 0 0 0 41 82 1 1 0 0 0 42 83 1 1 0 0 0 84 43 1 0 0 0 0 85 44 1 0 0 0 0 86 45 1 0 0 0 0 87 46 1 0 0 0 0 88 47 1 0 0 0 0 89 48 1 0 0 0 0 51 90 1 1 0 0 0 52 91 1 1 0 0 0 53 92 1 1 0 0 0 M END 3D SDF for #<Metabolite:0x00007fdb2c069c08>Mrv1652305142122452D 92 95 0 0 1 0 999 V2000 2.6961 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 9.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 11.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 19.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 9.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 15.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 12.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 19.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 16.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 17.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 14.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 12.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 19.1881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9664 16.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4414 17.7592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3289 18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 15.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 17.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 17.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 14.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4414 16.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 11.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 12.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 17.7592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1414 14.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6164 16.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3289 19.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 10.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 11.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3289 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 14.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 18.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 12.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 12.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 14.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 17.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 15.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 12.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 10.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 10.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 19.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 18.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 13.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 14.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 11.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 19.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 16.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 17.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 18.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 15.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 17.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 14.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 16.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 17.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 14.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 15.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 3 1 0 0 0 0 18 17 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 29 4 1 0 0 0 0 29 21 1 0 0 0 0 30 5 1 0 0 0 0 30 19 1 0 0 0 0 31 6 1 0 0 0 0 31 20 1 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 9 1 0 0 0 0 35 23 2 0 0 0 0 35 24 1 0 0 0 0 35 27 1 0 0 0 0 36 25 2 0 0 0 0 36 26 1 0 0 0 0 37 22 1 0 0 0 0 37 28 1 0 0 0 0 38 27 1 0 0 0 0 38 28 1 0 0 0 0 39 16 1 0 0 0 0 39 29 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 34 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 30 1 0 0 0 0 50 31 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 40 54 1 1 0 0 0 41 55 1 6 0 0 0 42 56 1 6 0 0 0 57 43 1 0 0 0 0 58 49 2 0 0 0 0 59 50 2 0 0 0 0 60 10 1 0 0 0 0 60 39 1 0 0 0 0 61 11 1 0 0 0 0 61 46 1 0 0 0 0 62 12 1 0 0 0 0 62 47 1 0 0 0 0 63 13 1 0 0 0 0 63 48 1 0 0 0 0 64 32 1 0 0 0 0 64 51 1 0 0 0 0 65 33 1 0 0 0 0 65 52 1 0 0 0 0 66 34 1 0 0 0 0 66 53 1 0 0 0 0 67 37 1 0 0 0 0 67 49 1 0 0 0 0 68 38 1 0 0 0 0 68 50 1 0 0 0 0 69 36 1 0 0 0 0 52 69 1 6 0 0 0 70 45 1 0 0 0 0 51 70 1 6 0 0 0 71 44 1 0 0 0 0 53 71 1 6 0 0 0 72 29 1 0 0 0 0 73 30 1 0 0 0 0 74 31 1 0 0 0 0 75 32 1 0 0 0 0 76 33 1 0 0 0 0 77 34 1 0 0 0 0 78 37 1 0 0 0 0 79 38 1 0 0 0 0 80 39 1 0 0 0 0 40 81 1 6 0 0 0 41 82 1 1 0 0 0 42 83 1 1 0 0 0 84 43 1 0 0 0 0 85 44 1 0 0 0 0 86 45 1 0 0 0 0 87 46 1 0 0 0 0 88 47 1 0 0 0 0 89 48 1 0 0 0 0 51 90 1 1 0 0 0 52 91 1 1 0 0 0 53 92 1 1 0 0 0 M END > <DATABASE_ID> MMDBc0002304 > <DATABASE_NAME> MIME > <SMILES> [H]C(CCCCC([H])(C)C([H])(CC)OC)(CC([H])(CC1=CC=C(O[C@@]2([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]3([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]4([H])OC([H])(C)[C@]([H])(O)C([H])(O)C4([H])OC)C3([H])OC)C2([H])OC)C=C1)OC(=O)C([H])(C)CCC)OC(=O)C([H])(C)CCC > <INCHI_IDENTIFIER> InChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1 > <INCHI_KEY> NHXHDQFTVZUNTA-IHDDPFCSSA-N > <FORMULA> C53H90O18 > <MOLECULAR_WEIGHT> 1015.285 > <EXACT_MASS> 1014.612716058 > <JCHEM_ACCEPTOR_COUNT> 16 > <JCHEM_ATOM_COUNT> 161 > <JCHEM_AVERAGE_POLARIZABILITY> 113.86327532010462 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate > <ALOGPS_LOGP> 5.63 > <JCHEM_LOGP> 8.256446699333331 > <ALOGPS_LOGS> -5.00 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.992113489391684 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.486296502098224 > <JCHEM_PKA_STRONGEST_BASIC> -3.5614107098088756 > <JCHEM_POLAR_SURFACE_AREA> 225.81999999999996 > <JCHEM_REFRACTIVITY> 259.5821 > <JCHEM_ROTATABLE_BOND_COUNT> 31 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.02e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> 1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate > <JCHEM_VEBER_RULE> 0 $$$$ PDB for #<Metabolite:0x00007fdb2c069c08>HEADER PROTEIN 14-MAY-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 14-MAY-21 0 HETATM 1 C UNK 0 5.033 18.480 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.897 17.146 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 9.653 18.480 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 7.343 22.481 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 3.360 21.774 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.207 21.147 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -18.067 37.152 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -8.827 31.817 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -13.447 34.484 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 7.343 17.146 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -22.687 31.817 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -11.137 25.148 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -18.067 29.149 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.263 19.814 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.667 18.480 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.883 19.814 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.263 22.481 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.723 22.481 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.723 19.814 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.897 19.814 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 5.033 21.147 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 1.953 23.815 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.977 27.816 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.977 25.148 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.517 27.816 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.517 25.148 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.667 26.482 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.357 25.148 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 6.573 21.147 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.953 21.147 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.667 21.147 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -18.837 35.818 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -9.597 30.483 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -14.217 33.150 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.207 26.482 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.287 26.482 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 0.413 23.815 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.897 25.148 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 7.343 19.814 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -20.377 35.818 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -11.137 30.483 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -15.757 33.150 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -21.147 34.484 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -11.907 29.149 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -16.527 31.817 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -20.377 33.150 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -11.137 27.816 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -15.757 30.483 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.413 21.147 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.897 22.481 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -18.837 33.150 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -9.597 27.816 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -14.217 30.483 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -21.147 37.152 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -11.907 31.817 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 -16.527 34.484 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 -22.687 34.484 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 -0.357 19.814 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 -0.651 21.576 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 6.573 18.480 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -21.147 31.817 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -11.907 26.482 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 -16.527 29.149 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -18.067 34.484 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 -8.827 29.149 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 -13.447 31.817 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 -0.357 22.481 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 -2.667 23.815 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 -8.827 26.482 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 -18.067 31.817 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 -13.447 29.149 0.000 0.00 0.00 O+0 HETATM 72 H UNK 0 5.803 22.481 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 1.183 19.814 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.437 19.814 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 -19.607 37.152 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 -10.367 31.817 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 -14.987 34.484 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 1.183 25.148 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.127 26.482 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 8.113 21.147 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 -21.917 35.818 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 -12.677 30.483 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 -17.297 33.150 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 -19.607 34.484 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 -10.367 29.149 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 -14.987 31.817 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 -21.917 33.150 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 -12.677 27.816 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 -17.297 30.483 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 -19.607 31.817 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 -10.367 26.482 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 -14.987 29.149 0.000 0.00 0.00 H+0 CONECT 1 14 CONECT 2 15 CONECT 3 16 CONECT 4 29 CONECT 5 30 CONECT 6 31 CONECT 7 32 CONECT 8 33 CONECT 9 34 CONECT 10 60 CONECT 11 61 CONECT 12 62 CONECT 13 63 CONECT 14 1 19 CONECT 15 2 20 CONECT 16 3 39 CONECT 17 18 21 CONECT 18 17 22 CONECT 19 14 30 CONECT 20 15 31 CONECT 21 17 29 CONECT 22 18 37 CONECT 23 25 35 CONECT 24 26 35 CONECT 25 23 36 CONECT 26 24 36 CONECT 27 35 38 CONECT 28 37 38 CONECT 29 4 21 39 72 CONECT 30 5 19 49 73 CONECT 31 6 20 50 74 CONECT 32 7 40 64 75 CONECT 33 8 41 65 76 CONECT 34 9 42 66 77 CONECT 35 23 24 27 CONECT 36 25 26 69 CONECT 37 22 28 67 78 CONECT 38 27 28 68 79 CONECT 39 16 29 60 80 CONECT 40 32 43 54 81 CONECT 41 33 44 55 82 CONECT 42 34 45 56 83 CONECT 43 40 46 57 84 CONECT 44 41 47 71 85 CONECT 45 42 48 70 86 CONECT 46 43 51 61 87 CONECT 47 44 52 62 88 CONECT 48 45 53 63 89 CONECT 49 30 58 67 CONECT 50 31 59 68 CONECT 51 46 64 70 90 CONECT 52 47 65 69 91 CONECT 53 48 66 71 92 CONECT 54 40 CONECT 55 41 CONECT 56 42 CONECT 57 43 CONECT 58 49 CONECT 59 50 CONECT 60 10 39 CONECT 61 11 46 CONECT 62 12 47 CONECT 63 13 48 CONECT 64 32 51 CONECT 65 33 52 CONECT 66 34 53 CONECT 67 37 49 CONECT 68 38 50 CONECT 69 36 52 CONECT 70 45 51 CONECT 71 44 53 CONECT 72 29 CONECT 73 30 CONECT 74 31 CONECT 75 32 CONECT 76 33 CONECT 77 34 CONECT 78 37 CONECT 79 38 CONECT 80 39 CONECT 81 40 CONECT 82 41 CONECT 83 42 CONECT 84 43 CONECT 85 44 CONECT 86 45 CONECT 87 46 CONECT 88 47 CONECT 89 48 CONECT 90 51 CONECT 91 52 CONECT 92 53 MASTER 0 0 0 0 0 0 0 0 92 0 190 0 END SMILES for #<Metabolite:0x00007fdb2c069c08>[H]C(CCCCC([H])(C)C([H])(CC)OC)(CC([H])(CC1=CC=C(O[C@@]2([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]3([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]4([H])OC([H])(C)[C@]([H])(O)C([H])(O)C4([H])OC)C3([H])OC)C2([H])OC)C=C1)OC(=O)C([H])(C)CCC)OC(=O)C([H])(C)CCC INCHI for #<Metabolite:0x00007fdb2c069c08>InChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1 3D Structure for #<Metabolite:0x00007fdb2c069c08> | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Formula | C53H90O18 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1015.285 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1014.612716058 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]C(CCCCC([H])(C)C([H])(CC)OC)(CC([H])(CC1=CC=C(O[C@@]2([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]3([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]4([H])OC([H])(C)[C@]([H])(O)C([H])(O)C4([H])OC)C3([H])OC)C2([H])OC)C=C1)OC(=O)C([H])(C)CCC)OC(=O)C([H])(C)CCC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | NHXHDQFTVZUNTA-IHDDPFCSSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Organic oxygen compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Organooxygen compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Carbohydrates and carbohydrate conjugates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Oligosaccharides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents |
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Substituents |
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Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Functional Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Expected Solid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
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Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cellular Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biospecimen Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated OMIM IDs | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Human Proteins and Enzymes | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Human Pathways | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Pathways |
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Metabolic Reactions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Health Effects and Bioactivity | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Microbial Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Exposure Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Host Biospecimen and Location | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FooDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445487 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139583512 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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