HMDB0112968 RDKit 3D PE-NMe(18:1(11Z)/18:1(9Z)) 132131 0 0 0 0 0 0 0 0999 V2000 3.2603 -0.6082 6.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -0.3252 7.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.8047 7.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 -0.1470 7.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -0.4708 7.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.8611 7.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -2.9050 8.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 -3.9424 7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -4.2536 6.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 -5.5918 5.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -5.8347 4.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 -7.1290 3.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -7.4021 2.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 -6.3260 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 -6.6465 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 -5.5428 -0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 -5.9295 -2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -4.8715 -3.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 -4.8845 -3.6068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 -3.8873 -3.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -2.8503 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -2.0097 -4.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -0.8810 -5.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 -0.0528 -5.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 1.2248 -6.4016 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3400 1.0212 -7.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 1.1670 -6.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 2.7236 -5.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 3.7609 -6.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 5.0787 -5.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 5.3125 -5.7067 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 5.4920 -7.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -1.5384 -3.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -1.9640 -3.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 -2.7729 -3.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.5431 -1.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 -0.6083 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 -1.1765 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3325 -0.2502 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END