HMDB0298628 RDKit 3D DG(18:1(12Z)-2OH(9,10)/0:0/i-13:0) 105104 0 0 0 0 0 0 0 0999 V2000 -12.9100 -0.0613 -1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7196 -1.5465 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6029 -1.6620 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3558 -1.0840 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1725 -1.1537 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5060 -0.3780 1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8835 0.6677 2.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6577 1.2024 1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8447 2.5868 0.9463 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1538 3.4510 2.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 3.2698 0.0778 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5063 4.3997 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0379 2.5033 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0202 1.5593 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3089 0.8045 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 -0.1023 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 -1.1019 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -2.1013 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 -1.5878 1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -0.7348 0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 0.3788 1.4136 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 -1.0819 -0.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -0.5094 -1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 -0.2962 -0.5377 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6065 0.3154 -1.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 0.6836 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.0209 0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 0.0300 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 -1.1343 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 0.5009 1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 0.1091 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.3519 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 -2.0244 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7834 -1.9362 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3616 -0.6009 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8728 -0.6582 -1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 -1.2320 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3517 -0.4441 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 0.9760 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5494 1.6539 1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3477 0.9549 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6742 0.4772 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9740 0.1113 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2269 0.1904 -2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6674 -1.9059 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4191 -2.0753 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9630 -1.1278 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4845 -2.7461 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5478 -0.0451 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1438 -1.6563 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2375 -0.9780 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1426 -2.2581 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4138 -0.7378 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2542 1.1471 2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3502 0.5221 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8439 1.2047 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8436 2.6410 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1228 2.9338 2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 3.8326 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 4.8075 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6559 1.8921 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5426 3.2581 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2577 1.0157 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 2.2844 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 0.1640 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7788 1.5579 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 -0.6259 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.6038 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 -0.6326 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5933 -1.6995 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -2.7845 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -2.8064 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -2.3905 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -1.0349 2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -1.1694 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 0.4612 -1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 -1.2337 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -0.4117 -2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.1951 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 1.6019 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 1.5722 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2106 -0.0597 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.4881 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 0.7119 -0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 -1.8008 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 -1.7529 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 -1.8158 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1034 -3.1507 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 -2.3701 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1439 -2.6959 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 -0.1038 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2997 -0.0339 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2155 0.3864 -1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0964 -1.2164 -2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 -2.2614 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6706 -1.2850 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3449 -0.4472 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9880 -0.9524 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3518 1.5332 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 0.9121 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3466 2.4060 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5884 2.2277 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7411 0.3835 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6998 0.4829 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7788 1.9750 0.4568 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 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 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 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 6 10 58 1 0 11 59 1 1 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 23 75 1 0 23 76 1 0 24 77 1 1 25 78 1 0 26 79 1 0 26 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 40100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 41105 1 0 M END