HMDB0295211 RDKit 3D DG(15:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 -9.9889 -0.6757 2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3955 0.1372 1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7049 0.7532 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3531 1.6387 0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5700 1.1658 -0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4154 1.0841 -1.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8054 2.3295 -1.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2445 3.3865 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1537 3.2514 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8128 2.7779 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7882 1.4173 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3611 1.0178 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -0.3653 -2.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 -0.8340 -2.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 -0.9520 -1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4965 -1.5793 -0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -0.3857 -1.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.3927 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 -1.6521 -0.6160 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7845 -2.9632 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -3.4460 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 -1.6425 0.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -1.5010 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -1.3683 -1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -1.5101 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 -1.2537 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6788 -1.3031 1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 -2.6439 2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -3.4449 2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 -3.1852 1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.1989 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5813 -4.0798 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -2.8735 -1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 -1.5771 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 -0.6255 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7245 -0.8010 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -0.6892 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5363 0.2244 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8400 1.2265 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6828 2.6608 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4812 3.1895 0.6062 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8661 3.0423 0.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0616 2.9103 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6653 3.4347 2.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 0.0205 3.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9345 -0.9270 2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6300 -1.5656 2.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5312 0.7204 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4802 -0.7015 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4575 -0.0422 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6097 1.3882 2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3840 1.9659 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8118 2.6278 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0077 0.1043 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3948 1.7530 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8058 0.5552 -2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6792 0.3351 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2137 2.1487 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7453 2.8535 -2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0272 4.0756 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8137 4.1501 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4555 2.8694 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9251 4.3725 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0962 2.7682 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3241 3.5098 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0902 0.6282 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3852 1.2517 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0341 1.7813 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7151 0.9390 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8363 -1.0985 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1043 -0.3938 -3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2489 -1.8446 -3.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -0.2115 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 -0.0808 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 0.4903 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -1.5793 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -3.7332 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -2.9421 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 -4.2174 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 -0.7587 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -2.5003 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 -2.0360 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 -0.2943 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 -0.8561 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -0.6259 2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 -2.9697 2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 -4.4522 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 -2.1498 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7639 -3.3800 2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 -5.2600 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7687 -5.0806 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -3.0274 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 -2.9460 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3753 -1.2836 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 0.3526 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8719 -1.7401 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8767 0.0418 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4934 -1.3843 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1898 0.2216 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9775 1.1184 -1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 1.0933 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 2.9585 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9884 3.2487 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3805 4.3532 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0882 2.0812 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 1.9235 2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 3.5642 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3331 2.8704 3.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6794 4.5000 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9762 3.1497 1.5055 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 18 74 1 0 18 75 1 0 19 76 1 6 20 77 1 0 20 78 1 0 21 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 1 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END