HMDB0113901 RDKit 3D PE-NMe2(14:1(9Z)/18:3(6Z,9Z,12Z)) 119118 0 0 0 0 0 0 0 0999 V2000 2.4530 4.0694 7.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 2.5884 6.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 2.2986 5.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 2.9548 4.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 2.6498 3.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 1.9955 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 1.4675 2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5046 2.0185 1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 1.7406 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 0.2551 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 -0.0036 -1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 0.6103 -2.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 0.3235 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 0.9331 -3.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 1.2579 -5.0973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7616 1.2147 -2.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 1.8257 -3.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 2.0384 -2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 2.8852 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -2.0360 1.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 -2.3149 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -2.7100 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -3.8234 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -4.8832 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -6.1962 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 -6.7422 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -6.9860 -2.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -7.5510 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 4.2308 8.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 4.4841 6.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 4.6031 6.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8018 2.1207 7.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 2.1765 6.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 2.6869 5.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2024 5.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 4.0662 4.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5237 2.7158 4.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.0265 3.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 1.8633 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 0.3554 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0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 18 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END