HMDB0048123 RDKit 3D TG(14:1(9Z)/20:2n6/18:2(9Z,12Z)) 157156 0 0 0 0 0 0 0 0999 V2000 0.8651 0.1951 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 1.1012 -2.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 0.8102 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 -0.6169 -3.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -0.9989 -4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 -1.3960 -5.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -1.5200 -6.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 -2.9264 -6.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 -3.8503 -5.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4168 -5.2688 -5.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -6.1427 -4.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -5.7371 -3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -6.7070 -2.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -6.2243 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -6.8114 -0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -5.0875 -0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 -4.4781 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 -3.2024 0.8448 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1553 -3.6474 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 -4.5056 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 -4.9302 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -4.5341 -0.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -5.8415 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -5.0118 2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -3.9638 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 -3.0953 2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -2.3606 3.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4315 -1.4685 3.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0731 -0.3230 3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0035 0.5232 2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 0.8117 1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 0.3356 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9344 -0.4163 -0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -0.1302 -1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4901 1.0485 -2.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 0.6051 -3.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 1.7541 -4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 2.5147 -3.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 1.6211 -2.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -2.4639 1.9999 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -1.2973 2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -0.9300 1.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 -0.3992 3.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7056 0.1243 3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 1.0624 4.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4196 2.4223 4.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 3.1898 3.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 4.6009 3.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 5.1519 3.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 4.7977 2.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 5.6864 2.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 5.4929 3.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0702 5.2200 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 5.0692 3.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 6.1384 3.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 5.9106 3.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 4.5804 3.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0619 4.4680 2.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7922 3.1706 2.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 2.9123 4.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2076 1.5867 3.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -0.5210 -1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 0.8303 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -0.3800 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 2.1390 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 1.1232 -3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 0.9773 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 1.4849 -3.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 -1.3362 -2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -0.7244 -3.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -0.9776 -4.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 -1.6758 -6.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 -1.2544 -5.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -0.7975 -7.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8038 -3.2622 -7.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3707 -2.9213 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 -3.4392 -4.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -3.8076 -5.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 -5.5941 -6.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 -5.2507 -6.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9287 -6.2034 -4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3893 -7.1792 -4.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -4.6912 -3.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 -5.8195 -3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 -6.7241 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 -7.7156 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 -4.1676 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 -5.0816 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -2.5980 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -4.1544 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 -2.7789 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 -6.5894 1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 -6.3070 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -5.7098 2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -4.5275 2.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 -4.5208 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -3.3121 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -2.3341 1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1614 -3.6338 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 -3.1557 3.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -1.8390 2.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2579 -2.0545 4.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -1.0440 4.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -0.7355 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6184 0.2675 3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2788 0.9462 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9814 1.4620 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5446 -0.2222 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 1.2245 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -1.3282 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -0.8060 -2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0451 1.6462 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 1.6325 -3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 0.0875 -4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1767 -0.1290 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 1.3429 -5.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 2.4113 -4.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4189 3.0029 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5873 3.2882 -3.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7862 1.4712 -1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0589 0.6070 -3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0684 1.9908 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 -1.0162 4.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 0.3998 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 0.5062 2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3626 -0.7989 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7324 0.5864 5.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 1.2300 4.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 2.4454 4.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 2.9772 5.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 2.6556 2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 3.1298 3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 5.1917 3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 5.0433 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 6.2901 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 4.9869 4.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 3.7711 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 5.0280 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 6.7519 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 5.5082 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 5.5774 4.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3987 5.0854 5.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 4.0536 3.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 5.2563 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 7.1794 3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0779 6.7738 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5355 4.5845 4.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3072 3.7295 3.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7261 5.3250 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 4.5964 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2213 2.2903 2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6294 3.2572 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 3.6929 4.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7842 2.9838 4.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3049 1.7164 3.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 1.0485 4.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7797 0.9413 3.2040 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 2 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 2 0 14 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 2 0 21 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 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 2 0 53 54 1 0 54 55 1 0 55 56 2 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 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 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 17 87 1 0 17 88 1 0 18 89 1 6 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 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 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 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 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END