HMDB0043307 RDKit 3D TG(15:0/20:1(11Z)/O-18:0) 169168 0 0 0 0 0 0 0 0999 V2000 -10.4918 -3.7434 3.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9186 -2.3801 3.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4284 -2.3062 3.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7857 -2.8098 2.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2252 -2.0418 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5936 -2.5611 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0953 -2.4400 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4457 -2.9871 -1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 -2.8229 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 -2.1477 -2.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 -1.4801 -3.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -0.0336 -3.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 0.6647 -3.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 0.7761 -2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 1.4260 -2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 1.5976 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 0.3065 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 0.4111 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.9707 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -1.0956 3.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -0.1497 3.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -2.2381 3.7461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 -2.5551 5.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7820 -3.8645 4.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -3.5698 3.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5632 -4.6139 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 -4.0775 2.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 -3.1983 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 -2.6160 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -1.6509 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 -1.0280 -1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -0.0257 -2.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 0.6736 -3.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.6806 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 1.1492 -4.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 0.1198 -5.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 -0.4033 -6.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -1.3713 -7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 -2.6684 -7.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 -2.8547 -6.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -2.2057 -7.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -2.7431 -9.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5585 -4.2194 -9.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -2.8495 5.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -1.6907 5.8656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 -0.4694 6.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -0.3116 6.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 0.6552 6.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 1.8996 7.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 3.0244 6.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 4.2602 7.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 5.3709 7.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 5.7812 5.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 6.8418 5.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 7.4819 4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 6.6908 3.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 5.6827 2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 6.2615 2.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 5.1015 1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 5.5716 1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 4.3609 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2247 -3.6937 2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7564 -4.5376 3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0773 -4.0987 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2719 -2.0323 4.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3714 -1.6349 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1241 -1.2517 3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0618 -2.9449 4.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6847 -2.6023 2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8678 -3.8886 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3393 -2.0958 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9901 -0.9470 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8506 -3.6565 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9854 -2.0424 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8245 -1.3930 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 -3.0886 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6546 -4.1025 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9344 -2.6431 -2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 -3.3002 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 -2.1582 -2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8052 -1.8132 -3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 -1.9405 -4.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3918 0.5553 -2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1353 0.1602 -4.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 1.7247 -3.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 0.2619 -4.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 -0.1009 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 1.4887 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4744 2.4466 -2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 0.7847 -3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 2.0765 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 2.2711 -0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -0.4328 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 -0.1454 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.1453 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1127 0.7548 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 -1.7762 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 -1.1419 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 -1.8029 5.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -4.2587 5.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -4.6135 4.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 -5.2320 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 -5.2988 4.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 -4.9510 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -3.5766 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -2.3649 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 -3.7425 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 -2.1098 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6205 -3.4224 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -2.1678 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 -0.8421 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8551 -1.7342 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 -0.4612 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 -0.5408 -2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.7549 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 1.2701 -2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -0.0294 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 2.4048 -3.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 2.3258 -4.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 0.6682 -3.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 1.9527 -4.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 0.7392 -6.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -0.5856 -5.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.5160 -6.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 -0.6959 -5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -0.8143 -8.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 -1.5763 -7.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 -3.1963 -8.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -3.3461 -6.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 -3.9846 -6.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 -2.7247 -5.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -1.1178 -7.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 -2.5327 -7.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4218 -2.4606 -9.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1921 -2.2454 -9.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 -4.4441 -10.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 -4.7704 -8.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 -4.6067 -8.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -3.2290 6.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -3.6369 5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 0.9621 5.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 0.3774 6.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 1.7173 8.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 2.1641 6.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 3.1794 5.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 2.6960 7.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 4.0562 8.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 4.6641 7.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 4.9879 7.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 6.2423 7.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 4.8646 5.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 6.1216 5.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 6.5003 5.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 7.6757 6.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 8.2031 4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 8.2309 4.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 7.3333 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 6.1394 3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5329 5.3848 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 4.7411 3.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 6.6733 3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8576 6.9819 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 4.6719 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 4.3837 2.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 6.0981 2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 6.2322 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 4.1665 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 3.4762 1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 4.4012 1.5956 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 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 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 1 24100 1 0 24101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 61169 1 0 M END