HMDB0294582 RDKit 3D DG(18:3(10,12,15)-OH(9)/10:0/0:0) 91 90 0 0 0 0 0 0 0 0999 V2000 12.9043 1.4445 2.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 1.9041 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9894 2.2654 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7993 2.1460 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 2.5029 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7024 1.2893 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 0.7713 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -0.4236 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 -0.9430 -2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 -2.1441 -2.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 -3.2229 -2.6249 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 -2.3992 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 -3.6395 -1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -3.9356 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 -2.8668 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -2.5512 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 -1.5199 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -0.1587 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.6693 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 0.9572 1.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8108 1.1124 -1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 1.8683 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9944 1.0624 -0.2692 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1683 -0.3314 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9508 -1.0542 0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 1.7202 -0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7503 1.9762 1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 1.5996 2.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 2.6797 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1466 1.6534 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1373 0.9116 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1994 -0.1333 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6030 0.3928 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6006 -0.7513 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0109 -0.2912 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2498 0.3878 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6900 0.8300 1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8386 1.2243 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 0.5659 2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 2.2703 3.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8718 2.8057 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7813 1.1067 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0688 2.6327 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 1.7860 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8325 2.8548 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0054 3.3059 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 0.7965 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7211 1.2700 -1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 -0.8711 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 -0.4021 -3.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0685 -3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6433 -3.4497 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 -1.5696 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0735 -2.5628 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -4.4892 -1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0485 -3.5340 -2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -4.0416 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -4.9163 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 -3.2068 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -1.9249 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -2.1464 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -3.4649 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0294 -1.4120 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -1.8889 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -0.1074 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 0.3788 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3863 1.9779 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 2.8749 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6287 0.8616 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 -0.3345 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -0.8406 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -1.1244 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 3.1853 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1481 3.3886 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9194 0.9190 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1158 2.1562 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3544 1.6167 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1538 0.4434 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1101 -0.7171 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0120 -0.8544 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8313 1.0882 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7161 0.9721 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3167 -1.4996 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5449 -1.2526 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2988 0.4168 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6583 -1.1925 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6051 1.2386 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0789 -0.4013 2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3225 -0.0631 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8447 1.5797 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8812 1.2763 2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 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 2 0 19 21 1 0 21 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 2 0 27 29 1 0 29 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 17 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 22 67 1 0 22 68 1 0 23 69 1 1 24 70 1 0 24 71 1 0 25 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 37 91 1 0 M END