HMDB0045928 RDKit 3D TG(20:0/20:2n6/22:1(13Z)) 191190 0 0 0 0 0 0 0 0999 V2000 2.3131 3.3216 -7.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 2.6147 -5.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 3.5392 -4.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 4.5510 -4.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 5.4781 -3.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.6884 -2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 4.8344 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 5.8019 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 5.4005 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 4.2613 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 2.9553 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 2.1712 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 0.8126 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -0.0558 1.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 -1.3637 1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -2.5113 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -2.7274 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.8213 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -2.3428 -2.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 -2.4867 -3.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 -3.7083 -3.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 -1.5345 -3.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 -1.7579 -3.3439 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6483 -0.9909 -2.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 -1.2835 -1.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 -0.5087 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8786 0.4136 -0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 -0.6114 1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 0.5650 1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 0.6314 3.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 0.5830 4.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7327 1.5972 4.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.4577 5.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 2.4203 4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 2.4103 6.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 3.2623 5.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 3.4137 6.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 4.1629 6.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9734 4.5044 7.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 4.1076 6.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7204 3.2005 5.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3885 2.0042 6.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5093 1.2369 7.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 0.4987 6.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 -0.1512 8.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 -0.9761 7.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 -1.5275 8.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -2.3835 9.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 -1.2630 -4.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -1.9055 -5.6378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -1.5919 -6.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -0.7357 -7.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.1231 -7.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.3464 -7.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 -1.5325 -8.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 -0.7546 -8.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -1.2215 -7.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -0.1915 -7.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -0.3898 -6.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -0.8077 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6266 -0.7787 -4.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 -1.3134 -2.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -2.8089 -2.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8706 -3.2489 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -4.7588 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 -5.2983 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -4.9903 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -5.5095 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 -5.0857 3.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -5.6077 3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -5.2132 2.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 2.5807 -8.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 4.1073 -7.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 3.7330 -7.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 1.8656 -6.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8478 1.9938 -5.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 2.9139 -3.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 4.0683 -5.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 3.9684 -4.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 5.1559 -5.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 6.3379 -3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 5.8604 -3.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.9139 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 4.1649 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7454 6.4825 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 6.5763 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 6.2870 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 4.2370 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6479 2.3284 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 2.9633 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 2.0609 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 2.7370 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 0.9971 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 0.3693 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.1112 2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 0.5624 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -1.1462 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -1.7559 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 -2.8195 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 -3.4532 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -2.9355 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -3.8032 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 -1.7946 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -0.8070 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.5542 -3.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4616 -3.2369 -2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0424 -2.8182 -3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5707 0.1083 -2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -1.2131 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -0.6067 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 -1.5425 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3958 1.5396 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8431 0.5457 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 1.6155 3.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 -0.1805 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 -0.4633 4.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 0.7680 5.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0785 2.6266 4.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 1.3310 3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 1.5815 6.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 0.4114 5.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 2.3170 4.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 3.4392 4.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.4102 6.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 2.9185 6.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 4.2815 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 2.8103 4.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 2.4806 7.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 4.1006 7.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 5.1519 5.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 3.6767 5.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 5.1897 7.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 4.4434 7.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9727 2.7578 5.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5399 3.7214 5.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2618 2.3605 7.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7882 1.3163 5.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 1.9270 8.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1036 0.5023 8.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -0.3863 6.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 1.0945 6.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 0.6084 8.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -0.7972 8.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -1.8757 7.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 -0.3953 6.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -2.1036 8.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 -0.6574 9.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -2.8270 10.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5135 -1.7190 10.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -3.1717 8.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -1.6435 -5.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1142 -0.1703 -4.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 -3.1826 -7.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 -2.0182 -9.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 -0.2597 -7.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -1.5704 -6.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 -1.3903 -9.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -2.6254 -8.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -0.8353 -9.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.3370 -8.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 -2.1748 -7.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.4094 -6.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6723 -0.0074 -8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 0.8239 -6.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2256 -1.0304 -6.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 0.6162 -6.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6603 -0.0271 -4.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -1.7777 -4.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -1.3952 -4.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 0.2819 -4.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 -1.0601 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 -0.8441 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4108 -2.9990 -2.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0901 -3.3901 -3.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2138 -2.8151 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8971 -2.9684 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1925 -5.2657 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6668 -4.9756 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3638 -5.0248 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 -6.4393 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 -5.4974 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 -3.9203 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -5.0671 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 -6.6253 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 -3.9600 3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6398 -5.4199 3.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -5.2578 4.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -6.7208 3.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 -5.0986 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -4.3362 3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 -6.0400 2.7483 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 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 2 0 26 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 23107 1 6 24108 1 0 24109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 39132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 48150 1 0 49151 1 0 49152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 68184 1 0 69185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 71190 1 0 71191 1 0 M END