HMDB0047914 RDKit 3D TG(14:1(9Z)/16:1(9Z)/22:1(13Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -0.2316 2.9609 7.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 2.1497 7.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 0.6819 7.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -0.1631 7.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 0.2536 7.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -0.5440 6.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 -1.9555 6.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 -2.1253 4.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -3.5895 4.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 -3.7544 2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -5.1798 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -5.5074 0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -4.9200 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 -3.4630 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 -2.8801 0.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 -2.6395 -0.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -1.2576 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -0.7894 -0.2473 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4801 0.6600 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 1.5635 -0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 1.7505 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 1.0115 -1.8747 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.8757 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 4.1593 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 4.0132 -2.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 5.1313 -3.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 5.1505 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 6.1264 -2.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 6.1165 -2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0079 6.8620 -2.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 6.2928 -3.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 5.6195 -5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 4.2463 -4.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 3.7169 -6.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 2.5732 -6.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3423 1.6175 -6.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 0.3030 -5.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9656 -0.2514 -6.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -1.5183 -6.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -2.7044 -6.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 -3.3127 -7.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -3.8882 -8.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 -2.9571 -9.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 -1.3902 0.9433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -2.6464 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -3.0999 -0.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 -3.4816 1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -4.9043 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -5.1321 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9158 -5.1530 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 -5.2063 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -3.7786 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0004 -3.0344 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1019 -3.1069 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0615 -2.1252 2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8948 -0.7064 1.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 -0.2156 2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 1.2297 2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 1.9374 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 1.3998 3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 0.0232 3.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 2.5260 6.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 3.1227 8.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 3.9837 7.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 2.4896 7.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 2.2462 8.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.3861 8.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 0.6248 6.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 -1.2308 7.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 0.0975 8.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 1.2936 7.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 -0.0673 5.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -2.3813 6.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 -2.5400 6.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 -1.7681 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8744 -1.5533 4.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 -3.9304 4.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 -4.2332 4.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -3.4059 2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.1706 2.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -5.6401 3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 -5.7467 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 -5.2482 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -6.6419 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 -5.2041 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 -5.3914 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -0.8788 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -0.6881 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 -1.3438 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 0.9459 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 0.8966 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 2.6817 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 2.9915 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 4.3121 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 4.9732 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 4.0299 -3.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 3.0498 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 6.0809 -2.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 4.9238 -4.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4412 5.3482 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 4.1257 -2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 6.0281 -4.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2157 7.1851 -2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 5.0624 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 6.5583 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6283 7.8845 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7562 7.2505 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 7.1295 -4.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5531 5.5639 -3.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 6.2852 -5.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 5.5496 -5.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 3.6118 -4.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9494 4.2009 -4.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3193 4.3744 -6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8786 2.2758 -7.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0769 1.3123 -6.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 1.9320 -5.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 0.5557 -4.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -0.3468 -5.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 -0.3505 -7.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 0.4977 -7.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 -1.2909 -5.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.7468 -7.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1211 -3.5288 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -2.6434 -5.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 -4.1754 -6.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -2.5833 -7.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -4.4643 -8.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -4.6933 -8.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 -3.2557 -10.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -1.9053 -9.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 -3.0874 -9.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -3.0957 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -3.4483 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 -5.5664 2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -5.1916 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 -6.2084 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -4.5155 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 -6.0971 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0187 -4.2871 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 -5.8408 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 -5.6070 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 -3.2733 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1498 -3.8904 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 -1.9674 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -3.4402 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 -4.1530 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1613 -2.3896 3.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 -0.4428 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7386 -0.0947 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -0.8843 2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0438 -0.4629 3.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 1.7633 2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2085 1.3817 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 1.9928 4.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 3.0157 2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7356 1.3553 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 2.0628 3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 -0.7392 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8438 -0.2780 4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 0.0232 4.5082 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 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 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 18 44 1 0 44 45 1 0 45 46 2 0 45 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 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 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M END