HMDB0042349 RDKit 3D TG(14:0/18:1(11Z)/20:3n6) 159158 0 0 0 0 0 0 0 0999 V2000 4.4964 -0.0629 3.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 -1.2124 4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -1.1139 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 -2.2706 5.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 -2.1250 5.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -3.2208 6.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -4.1128 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 -4.1616 4.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 -5.5138 3.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 -6.3475 3.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -6.1138 3.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0031 -6.2197 2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -5.2490 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8327 -3.9306 2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3451 -3.6692 1.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8368 -3.6623 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1386 -2.6161 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6353 -2.5795 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9116 -1.5535 -2.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 -0.1640 -1.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9926 0.5639 -2.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 0.3661 -1.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1979 1.6670 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 1.7698 0.4394 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9689 3.1121 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 3.1958 1.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 4.2892 2.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 5.2552 2.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 4.2333 3.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 5.3503 4.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 6.7257 3.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 7.0424 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 6.8316 3.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 7.2181 2.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 6.4676 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 4.9975 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 4.2519 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 4.7106 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 3.9789 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 4.1652 -3.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 3.3882 -4.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 1.5247 -0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 0.3480 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -0.4265 0.8203 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 -0.0559 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -1.4313 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 -1.9909 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -3.3761 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -4.1195 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 -3.4216 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 -4.1169 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -4.4723 -1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 -3.4506 -3.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -2.6702 -3.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6457 -2.6969 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -3.4728 -5.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 -2.7027 -6.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 -1.8612 -7.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -0.7316 -7.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 0.3006 -6.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 0.9295 -7.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -0.2388 3.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 0.0360 2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.8881 4.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 -2.1436 4.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 -1.1205 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9983 -1.1587 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 -0.1502 5.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 -2.2469 6.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -3.2009 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -2.0255 4.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -1.1843 6.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 -3.3212 7.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -4.8836 6.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 -3.9714 4.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 -3.3802 3.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -5.7255 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 -7.3267 3.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9207 -5.2910 4.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 -7.0934 4.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 -7.1913 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 -5.4267 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -3.8235 3.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 -3.1132 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6065 -2.7235 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8732 -4.4863 2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9198 -3.4303 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 -4.6361 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 -1.6245 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0378 -2.7543 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7207 -2.3660 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4621 -3.5600 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8445 -1.8154 -2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4051 -1.5452 -3.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1331 1.7758 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0866 2.4510 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 0.9674 1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 3.8954 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 3.2389 1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 4.0052 2.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 3.2948 4.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 5.1804 4.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 5.2490 5.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 7.4827 4.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 7.0096 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 8.1424 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 6.5416 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 5.8021 3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 7.4867 4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 6.9429 2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 8.3060 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 6.7049 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0747 6.8422 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 4.5942 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 4.7752 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 3.1806 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2461 4.3338 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3039 4.5431 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 5.7884 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8325 4.3815 -3.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 2.8797 -2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 3.8055 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5901 5.2542 -3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 3.8694 -5.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 3.3881 -5.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 2.3373 -4.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.0405 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 0.6703 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -1.4705 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -2.1064 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 -1.9537 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 -1.3792 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -3.9614 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -3.3745 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -4.3062 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -5.1135 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 -2.3520 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -3.4632 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -3.4625 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 -5.0150 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 -5.2741 -2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -5.0333 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8399 -3.8966 -3.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -2.7366 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -2.0415 -2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7714 -2.0870 -4.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.2861 -5.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3964 -4.1049 -6.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7388 -2.1590 -6.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2947 -3.4777 -7.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 -2.5506 -8.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.4977 -8.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 -0.1354 -8.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 -0.9276 -6.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -0.0332 -5.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 1.1263 -6.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 1.3052 -6.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5164 0.1488 -8.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 1.7570 -7.9303 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 2 0 10 11 1 0 11 12 1 0 12 13 2 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 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 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 2 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 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END