HMDB0290531 RDKit 3D SM(d18:1/18:1(12Z)-2OH(9,10)) 133132 0 0 0 0 0 0 0 0999 V2000 4.3008 -3.8467 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -3.7769 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 -2.8324 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -2.8128 -2.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 -1.8723 -3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 -1.8096 -4.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -0.7327 -5.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 0.6144 -4.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 1.1804 -4.9430 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5317 2.4421 -4.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 0.2095 -4.6337 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9645 -1.0277 -5.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 0.0662 -3.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 1.3042 -2.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 0.8640 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 2.0629 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 1.7734 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 1.4000 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 1.0868 3.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.0973 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 -0.8064 2.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4183 -0.4987 4.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -1.6622 4.2875 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6914 -2.7288 5.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -2.9827 4.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4245 -4.1370 5.6526 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2812 -5.4895 4.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -4.2549 7.2430 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0839 -3.7931 5.7021 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -4.8811 6.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3047 -4.4964 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -5.5430 6.6173 N 0 0 0 0 0 4 0 0 0 0 0 0 6.9281 -5.1140 7.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -5.8630 5.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4755 -6.7614 6.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -1.3949 4.5506 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4207 -2.5965 4.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 -0.3738 3.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -0.3686 2.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 0.6468 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 0.0412 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 1.0371 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7196 2.0642 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2175 3.0806 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9496 2.4145 -2.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4959 3.3830 -3.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4396 4.2098 -3.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1633 5.1152 -4.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2194 6.0003 -5.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 6.8500 -6.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7975 6.0543 -7.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9641 5.1796 -8.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 -4.5211 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -2.8607 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -4.3047 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0439 -3.5207 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 -4.8200 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -1.8230 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -3.2346 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -2.5741 -2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 -3.8279 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 -2.4297 -3.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -0.9508 -2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 -2.7387 -5.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 -0.7877 -6.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8406 1.2663 -5.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 0.5676 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6994 1.2932 -6.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 3.1185 -5.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.5457 -5.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 -1.6060 -5.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 -0.7091 -3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -0.3227 -2.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 1.6601 -2.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 2.1290 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 0.4738 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.0505 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 2.9440 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 2.3087 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 1.0797 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 2.7313 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 0.5477 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4057 2.2809 1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.8778 3.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 1.9533 3.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 0.0721 5.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -2.1017 3.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -2.3848 6.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -3.6588 5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 -5.7247 5.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -5.1279 7.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -4.2113 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4605 -3.5942 6.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -5.2667 8.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 -5.7499 7.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -4.0798 7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8998 -5.0619 5.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -5.9443 4.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6411 -6.8450 5.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -7.1575 6.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 -6.6659 7.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2668 -7.5131 7.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 -0.9731 5.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 -3.0939 3.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8694 0.4062 3.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 -1.1645 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 1.3268 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 1.3161 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1129 -0.5544 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6409 -0.6801 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 1.6007 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 0.4968 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 2.5897 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6105 1.5331 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 3.6530 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8919 3.7760 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 1.6495 -2.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8113 1.8574 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2623 4.0391 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0001 2.7708 -4.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6753 3.6581 -4.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9296 4.8777 -3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6949 4.4742 -5.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9245 5.7323 -4.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4584 5.4721 -6.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6553 6.6630 -4.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7727 7.4925 -6.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3307 7.5223 -7.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3194 6.8176 -8.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6525 5.5110 -7.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0868 5.4380 -9.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2594 4.1066 -8.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 5.2709 -8.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 36 38 1 0 38 39 2 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 1 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 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 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 6 10 69 1 0 11 70 1 6 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 19 84 1 0 19 85 1 0 22 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 1 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 52133 1 0 M CHG 2 28 -1 32 1 M END