HMDB0294721 RDKit 3D DG(12:0/18:1(12Z)-2OH(9,10)/0:0) 102101 0 0 0 0 0 0 0 0999 V2000 -10.2411 2.9513 -3.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 1.7875 -4.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 1.0678 -2.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2108 0.5013 -2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 -0.2316 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1956 0.7364 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 0.5987 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 -0.4704 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7562 -0.0670 -0.4850 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9526 -1.1942 -0.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 1.0326 0.0588 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6315 2.2041 0.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 0.7573 1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 0.1024 2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 -0.0929 3.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -0.9465 2.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5634 -2.2935 2.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 -3.1809 1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 -3.6263 2.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 -2.7016 3.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -2.4423 4.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 -2.0319 2.8765 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -1.1463 3.5205 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7718 -1.8212 3.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.0562 2.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.1184 2.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 -0.1599 1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 0.8234 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 2.0100 0.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.5252 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8221 -0.5863 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 -0.1819 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0431 -1.2657 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6691 -1.7578 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6473 -1.1275 -2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 0.2255 -2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8431 1.2914 -1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6786 2.6999 -2.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 2.9594 -3.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0210 2.7281 -2.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4623 3.4587 -4.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8476 3.6857 -3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2205 2.5408 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3224 2.2389 -4.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6298 1.1526 -4.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2889 0.2314 -3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4393 1.7735 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6853 -0.2548 -2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9564 1.2813 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8461 -0.5670 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2954 -1.1102 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 1.6315 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6046 1.3974 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5276 -1.2364 -0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 -1.0682 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 0.2047 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4653 -1.9255 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 1.4111 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1482 2.6289 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 0.2123 0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 1.7734 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1737 0.6864 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 -0.9018 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 0.9060 3.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 -0.5506 4.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -0.9878 3.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -0.4137 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 -2.1452 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -2.7788 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 -2.7190 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9393 -4.1320 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 -4.4190 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -4.2996 3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -1.0011 4.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -2.7925 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4866 -1.1425 4.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -2.7315 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 0.6574 2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 0.7950 3.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 0.3295 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 1.4648 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -1.4990 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1161 -0.7977 -1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -0.1157 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 0.8206 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5785 -2.1085 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 -0.9026 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 -2.7912 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.1873 -1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7274 -1.2821 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -1.8220 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 0.3681 -3.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 0.3919 -3.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3870 1.1651 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9853 1.1874 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6254 2.9170 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9745 3.3542 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 2.2685 -4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 4.0359 -3.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 1.7149 -3.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 2.8180 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6664 3.4418 -3.3242 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 23 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 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 6 10 57 1 0 11 58 1 6 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 1 24 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 40102 1 0 M END