HMDB0054611 RDKit 3D TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) 191190 0 0 0 0 0 0 0 0999 V2000 -11.4057 -1.0499 6.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0676 -2.5546 6.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7507 -3.0012 7.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 -3.5186 8.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5070 -3.7055 7.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1321 -5.1295 7.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9673 -5.6220 7.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8278 -4.9054 7.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5796 -4.7657 7.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2082 -5.1624 6.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9554 -5.8676 5.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2382 -5.3613 3.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 -4.2573 3.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 -3.1253 3.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8389 -1.8014 3.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0082 -1.3955 3.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1858 -2.1085 2.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6099 -1.3834 1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -1.4364 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -2.7926 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7244 -2.8690 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 -2.6338 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 -2.4405 0.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 -2.6203 -1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -2.4137 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -1.1098 -2.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.8043 -1.9363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 0.3969 -2.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 1.1442 -3.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 0.9336 -2.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 2.0986 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 2.6942 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 3.8692 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 4.9617 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 6.2246 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 6.3009 1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 5.7223 2.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 6.0913 1.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 5.5442 2.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 4.0776 3.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 3.1660 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6109 2.1981 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 1.9378 2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 0.5902 3.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -0.2490 3.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 -0.0539 2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -0.1786 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 0.0391 2.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 -0.0556 3.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6012 0.1662 2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 -3.5234 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -3.2807 -1.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -3.0850 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -3.1125 0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 -2.8325 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -3.2648 -1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -2.9059 -1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 -3.3147 -2.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.9414 -2.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0402 -1.4319 -2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -0.7080 -3.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3432 -1.0469 -4.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 -0.3369 -5.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.1431 -5.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 1.8126 -6.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 3.2536 -6.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 4.0279 -6.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 3.4564 -6.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 4.0706 -7.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 4.7106 -7.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 4.8750 -6.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 6.3656 -5.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 6.3965 -4.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 7.8122 -4.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 7.8845 -2.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7255 -0.6455 7.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4328 -0.8879 6.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1641 -0.5415 5.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3451 -2.6397 5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0689 -3.0115 6.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5317 -2.8963 8.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3912 -3.8508 9.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -3.1600 7.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6415 -3.2369 6.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9433 -5.7877 6.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8762 -6.7280 7.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5699 -5.4771 8.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0888 -3.9016 8.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -4.2019 7.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -4.9672 5.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3642 -6.8660 4.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9023 -6.3401 5.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8317 -6.1197 3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -4.2417 2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -2.9570 2.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6569 -3.3339 4.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 -1.0150 4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 -0.2740 3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0176 -1.8346 3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -3.1812 2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 -0.3198 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6541 -1.7449 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0912 -0.6543 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7103 -1.1209 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7179 -2.8295 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7376 -3.6479 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0786 -2.1177 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8151 -3.8488 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 -2.3306 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -0.2566 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 -1.0130 -3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 1.3902 -3.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3986 0.1538 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 2.8516 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 1.7372 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 3.0024 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 1.9018 -0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 3.4874 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 4.2451 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 5.1880 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 4.5304 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 6.9611 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 6.6888 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 5.8958 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 7.3947 1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 5.9045 3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 4.5949 2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 5.7514 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 7.2163 1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 6.0248 3.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 5.8611 2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 3.7816 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 3.9399 3.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 3.3111 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 1.5725 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 2.0061 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 2.6709 3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 0.3296 3.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 -1.2338 3.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 0.7570 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -0.9943 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 -1.1770 3.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 0.5750 4.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -0.7397 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 1.0413 1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5676 -1.0612 3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4445 0.7573 3.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 1.0049 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 -0.7193 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2224 0.4658 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 -4.5072 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -3.6530 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -3.1804 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 -1.7029 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 -2.5851 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -4.3205 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8116 -3.4835 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 -1.8490 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 -4.4317 -2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1112 -2.9766 -3.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5817 -3.3102 -2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1966 -3.4010 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1266 -1.2269 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5533 -1.0527 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 0.3818 -3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -0.7716 -3.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 -0.7535 -4.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2898 -2.1460 -4.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 -0.7331 -5.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3914 -0.5728 -6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 1.3850 -4.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 1.5343 -5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 1.3225 -7.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 1.6585 -7.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 3.7405 -6.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 5.0973 -6.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 3.5588 -5.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 2.3545 -6.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 4.0000 -8.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 5.1399 -8.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 4.5079 -6.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 4.4470 -5.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 6.7807 -5.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 6.8858 -6.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 5.8617 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 5.9497 -3.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 8.3576 -4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 8.3324 -4.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 7.8816 -2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 7.0259 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 8.8294 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 26110 1 0 26111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 50150 1 0 51151 1 0 51152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 70180 1 0 71181 1 0 71182 1 0 72183 1 0 72184 1 0 73185 1 0 73186 1 0 74187 1 0 74188 1 0 75189 1 0 75190 1 0 75191 1 0 M END