HMDB0113344 RDKit 3D PE-NMe(20:2(11Z,14Z)/18:1(9Z)) 136135 0 0 0 0 0 0 0 0999 V2000 16.9268 -5.3553 -3.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9672 -5.0139 -1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9963 -3.5203 -1.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -3.3370 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9373 -1.8812 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5088 -1.0188 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4547 -0.2612 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 -0.1713 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1564 -0.5347 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1443 0.2975 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3064 1.6488 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 1.9612 1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 1.9883 1.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3365 0.8050 1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 1.1939 1.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 0.1155 1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5588 0.6439 2.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 1.9228 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 1.8465 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 0.9586 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 0.8312 -1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 0.2811 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 -0.5406 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 0.2732 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 1.3665 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.2119 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 3.4401 1.5723 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9998 2.9844 2.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 3.7827 2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 4.7814 0.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 5.8857 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 7.0707 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 7.3124 0.5342 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3199 6.2848 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -0.5489 -0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9194 -0.6415 -1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 -0.0015 -2.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -1.4805 -1.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.5416 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3824 -0.0504 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 0.9232 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8589 0.3153 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8995 1.3843 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3073 0.9736 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4322 0.5243 -2.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8262 -0.6212 -2.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2406 -1.7276 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4249 -2.9418 -1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7150 -4.1356 -0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6061 -4.1823 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4089 -3.4804 1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8484 -3.7235 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7700 -3.2684 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8235 -1.7318 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8723 -5.7647 -2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1151 -4.5054 -3.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4884 -6.1735 -3.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2604 -5.6104 -0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9540 -5.3482 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9892 -3.2017 -1.2345 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28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 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 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 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 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END