HMDB0044748 RDKit 3D TG(18:0/16:0/O-18:0) 168167 0 0 0 0 0 0 0 0999 V2000 -4.1860 -2.3037 -8.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 -1.5951 -7.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 -0.3008 -7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 0.3779 -6.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 1.6528 -5.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 1.7508 -5.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.1060 -3.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 -0.3657 -3.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -1.0629 -4.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7957 -2.5571 -4.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 -3.1999 -4.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 -4.6938 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 -5.0681 -3.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 -4.4570 -2.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 -4.8143 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -6.2929 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 -6.6925 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 -6.2876 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -6.6858 2.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -6.5218 3.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -5.1804 4.0318 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9092 -4.1202 3.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -4.1310 2.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -4.1527 2.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 -4.1993 3.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -4.1034 0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 -3.8879 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -3.6287 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 -2.4295 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -1.2765 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 -0.1136 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 0.9519 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 2.2118 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 2.0435 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 3.3358 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 4.3368 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 5.5782 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 6.6401 0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 7.8760 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 8.5902 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 9.8364 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 9.6173 -1.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 -5.2663 4.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 -4.7966 6.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0213 -4.2179 6.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -4.8483 7.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 -3.6592 8.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -2.4009 7.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -1.7795 6.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -0.4519 6.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 0.5848 7.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 1.7531 7.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 2.6185 6.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 2.0427 5.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 3.1609 4.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 2.6543 3.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 3.8389 2.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3528 3.4528 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 2.4533 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 3.0036 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 -3.0363 -8.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8728 -2.7868 -9.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -1.5478 -9.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 -2.2383 -6.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9802 -1.3647 -8.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2615 0.3205 -8.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 -0.4419 -7.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 -0.3234 -5.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 0.6605 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 2.0935 -5.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 2.3847 -6.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 2.8694 -5.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 1.5081 -5.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 1.4851 -3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 1.4843 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.5430 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8753 -0.8685 -3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 -0.7038 -4.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 -0.8408 -5.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -2.8473 -3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -2.9426 -4.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0924 -3.0755 -5.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -2.8062 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -5.1980 -5.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 -5.0373 -4.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 -4.8749 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 -6.1893 -3.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 -4.6943 -2.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 -3.3464 -2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -4.3220 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -4.3664 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9513 -6.6227 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1785 -6.8022 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 -6.2625 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -7.8028 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -5.2756 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 -6.9303 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -7.2329 4.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 -6.9904 3.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -4.8502 4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 -3.7409 2.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -3.1864 3.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -3.4216 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 -5.1319 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8491 -3.0765 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -4.8105 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -3.3511 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6507 -4.4754 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7577 -2.1422 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -2.7716 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -1.4864 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 -0.9687 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -0.3952 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 0.1578 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 1.1043 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 0.4722 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 2.6985 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 2.9813 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 1.4125 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 1.4615 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 3.1399 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 3.8081 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 3.9308 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 4.5936 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 5.9436 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 5.2564 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 6.2331 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 6.8350 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 8.5592 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 7.6994 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 7.9280 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 8.9378 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 10.6161 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 10.2775 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 8.6619 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 9.7477 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 10.4168 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 -5.8094 7.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -4.9261 6.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -3.4631 8.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5882 -3.9972 9.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -1.6115 8.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -2.4484 7.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.3927 5.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 -1.5108 6.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 -0.7578 6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -0.0754 5.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 1.0182 6.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 0.2008 8.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 1.3981 7.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 2.3949 8.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 3.1334 5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 3.5000 6.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 1.2475 4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 1.6324 5.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 3.9410 5.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 3.6330 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4837 2.2795 4.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 1.8442 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5511 4.5818 3.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 4.2205 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 4.3919 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 3.0537 2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 1.4891 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 2.1748 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 2.9075 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 4.0975 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 2.4223 -0.2049 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 2 0 44 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 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 20 98 1 0 20 99 1 0 21100 1 1 22101 1 0 22102 1 0 26103 1 0 26104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 42137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 55157 1 0 56158 1 0 56159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 60168 1 0 M END