HMDB0289827 RDKit 3D PC(P-18:1(9Z)/18:3(9,11,15)-OH(13)) 134133 0 0 0 0 0 0 0 0999 V2000 -0.6195 -1.2784 -3.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -2.0916 -4.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 -2.6134 -5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 -2.3533 -5.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -2.8528 -6.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -1.8149 -7.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -0.9932 -8.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 -0.9621 -6.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -1.2328 -5.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -0.2872 -4.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 -0.4896 -3.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 0.3684 -3.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 0.8719 -1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 -0.2216 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.4692 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 -0.5656 1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 0.0550 2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 1.0072 2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 0.4736 2.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 0.3306 0.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 0.1341 2.9698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 -0.3616 2.4116 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9800 0.5969 2.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 0.1591 2.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -0.0496 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 0.5206 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 0.2352 -1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4537 1.3760 -2.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 2.3071 -2.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 3.0919 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 4.0373 -1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 4.7979 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 5.7170 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1602 5.6756 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2005 4.7013 2.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 5.4297 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 6.3185 3.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 5.6964 3.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 4.6493 4.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 4.1072 4.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 3.0497 5.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 2.5770 5.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 -1.7313 2.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.6251 2.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 -4.1590 3.2746 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9545 -4.1697 3.5462 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -4.3201 4.7373 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.0096 -5.3387 2.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 -6.6037 2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 -7.6480 1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 -7.3750 1.1813 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7391 -6.1876 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -7.2193 2.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 -8.4842 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -1.9132 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -0.3209 -3.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 -1.0840 -2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -1.5190 -4.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 -2.9326 -3.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -3.2204 -6.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 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6.3941 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 4.1985 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 3.9111 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 4.7266 4.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 6.0843 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 7.0783 2.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7256 6.8720 4.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 5.2897 2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 6.5102 4.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2362 5.1290 5.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 3.8362 4.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 4.9449 5.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 3.7560 3.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8962 3.5272 6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 2.2169 5.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8384 2.2597 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0903 3.4148 5.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 1.7067 5.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -1.7597 4.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 -2.1392 2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -6.8511 3.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 6 23 85 1 0 23 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END