HMDB0274489 RDKit 3D PGP(a-17:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 137136 0 0 0 0 0 0 0 0999 V2000 2.0198 -6.7251 2.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 -6.9030 3.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 -8.0559 3.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -7.8585 1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -9.0736 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -9.0583 -0.2630 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3624 -10.2732 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6158 -8.9342 -1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -7.7648 -1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 -7.6812 -2.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 -6.5741 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 -5.2555 -2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -4.8070 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 -3.6706 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -2.7773 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 -2.5881 -4.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9314 -1.4424 -4.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -0.1825 -3.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 0.7690 -4.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 1.9867 -4.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 3.0670 -4.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 2.9477 -6.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 4.2271 -4.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 5.3151 -4.7894 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6901 6.5151 -4.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 6.9548 -3.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6337 7.4663 -2.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 7.6345 -2.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 7.8523 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 6.6985 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 6.0965 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 4.9050 1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9672 5.2475 2.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 4.0525 3.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 3.4598 3.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 4.4257 4.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 3.7808 5.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 3.3492 4.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 2.7097 5.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 2.2860 4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 1.6457 5.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 2.6547 6.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 1.2785 4.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5756 0.3017 3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 5.5437 -4.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 4.4252 -4.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 4.6302 -4.3349 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0166 4.7501 -2.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 5.9887 -4.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 3.2186 -4.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1817 2.0972 -4.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 0.8302 -4.5565 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2845 -0.2991 -4.0696 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3384 0.8014 -4.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9826 1.9317 -4.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6027 1.9943 -4.0938 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1221 0.5756 -4.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5362 2.9412 -5.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7365 2.5125 -2.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -7.7163 2.6747 H 0 0 0 0 0 0 0 0 0 0 0 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30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 0 51130 1 0 51131 1 0 52132 1 6 53133 1 0 54134 1 0 54135 1 0 58136 1 0 59137 1 0 M END