HMDB0112969 RDKit 3D PE-NMe(18:1(11Z)/18:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -15.0201 5.4803 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6583 4.9114 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6652 3.3834 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2264 2.9045 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2386 1.3743 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7888 0.8779 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1833 1.3876 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1241 2.1647 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3817 2.6434 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9251 2.1503 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0102 0.6465 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 -0.0274 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 0.3147 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 -0.4074 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -0.0842 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3847 -0.8183 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5893 -2.2946 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -3.0535 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -4.3121 -0.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 -2.4689 -0.6158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -3.2587 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.4011 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 -3.3632 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 -4.0546 0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -5.1894 0.3287 P 0 0 0 0 0 5 0 0 0 0 0 0 5.0460 -4.6574 0.0526 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 -5.7599 1.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -6.4995 -0.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -6.7407 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 -7.9233 -1.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -8.2081 -1.6454 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -9.3446 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -1.5256 0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -0.1563 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 0.2494 -1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 0.8016 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0256 0.7647 1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 1.0364 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 0.0951 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 0.5538 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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 43115 1 0 44116 1 0 44117 1 0 45118 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