HMDB0047506 RDKit 3D TG(24:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 201200 0 0 0 0 0 0 0 0999 V2000 3.7195 -1.1735 3.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 -0.1934 2.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -0.8310 1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3468 -1.0599 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2169 -0.6782 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -1.9605 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7236 -2.2452 -2.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -1.2557 -3.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 -0.9996 -4.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 0.1614 -4.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 1.3911 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 2.3375 -4.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 3.5027 -4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 3.9829 -3.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 4.2984 -4.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 5.4703 -4.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 6.6865 -4.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 7.3060 -3.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 6.6780 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 6.5078 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 5.9114 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 5.7582 1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 4.8935 2.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 6.3941 2.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 6.1743 3.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 4.8951 3.9257 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5355 4.6753 3.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 4.4508 2.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 4.1655 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0215 4.0554 2.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1418 4.0186 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7294 3.9603 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0197 2.6491 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 2.8073 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 1.6008 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 0.9307 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 -0.2048 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -1.1980 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -2.2420 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -3.3093 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -4.2403 -1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -3.8794 -2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 -3.2983 -3.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 -1.9815 -3.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 -1.7130 -5.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 -0.3814 -5.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -0.1751 -4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 1.2235 -5.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 1.6085 -4.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 3.0392 -5.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 3.5918 -5.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5333 3.6604 -3.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5328 4.5517 -3.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 3.7184 3.6663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 2.9576 4.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 3.4259 5.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 1.6897 4.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 1.3109 5.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -0.0062 6.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.2216 5.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8489 -1.6075 5.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 -1.8489 4.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6157 -3.1552 4.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7376 -4.3533 4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 -4.6314 3.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -5.8774 3.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -6.2455 2.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 -7.4618 2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -7.5015 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -6.3807 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -6.8258 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 -6.9507 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -6.6494 2.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 -5.5576 2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6902 -5.9767 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -4.9354 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5937 -4.5532 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -1.7458 3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.5806 4.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 -1.8309 3.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 0.1676 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 0.6732 3.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -1.1487 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 -1.5401 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -0.3011 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 0.0981 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 -2.7492 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3763 -3.2040 -2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -1.8899 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 -0.4404 -3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 -1.8384 -4.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 0.3121 -5.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 1.6805 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 1.1722 -3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1109 2.0134 -5.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 4.2257 -5.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 3.3220 -3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 4.9109 -3.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0977 3.4837 -5.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 5.5792 -5.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 6.4991 -3.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 7.4273 -4.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 7.6525 -4.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 8.3411 -3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 7.2385 -1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 5.6331 -2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 5.8707 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 7.5129 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 4.9526 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 6.5938 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 6.9754 3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 6.5249 4.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 5.0071 5.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 5.6315 3.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 3.8502 4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 4.8790 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 3.0667 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 4.2408 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 4.7700 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 2.4770 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 1.8269 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 3.4585 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 3.4488 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 1.8826 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 0.9147 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 0.6139 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 1.6825 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.7836 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 0.1123 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -0.6770 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -1.6420 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 -2.6499 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -1.6312 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -4.0091 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 -2.9991 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -4.8716 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 -5.1153 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 -4.8997 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 -3.2917 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 -3.2159 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 -4.0711 -4.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -1.7542 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 -1.1655 -3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 -2.4866 -5.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.7805 -5.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -0.1435 -6.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 0.4155 -4.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0369 -0.3110 -3.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 -0.9196 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 1.3686 -6.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 1.9191 -4.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4709 0.9373 -5.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 1.6051 -3.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 3.1092 -6.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 3.6773 -4.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0472 3.0711 -5.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 4.6532 -5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5378 4.1153 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5685 2.6687 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 5.4244 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 4.9800 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 3.9917 -2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 0.8919 4.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 1.7495 3.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 2.1098 6.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 1.3447 6.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -0.8586 5.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 -0.0988 7.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0721 0.4837 5.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -0.1938 4.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -2.3582 5.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 -1.6205 6.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 -1.9047 3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -1.0441 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 -3.3289 3.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2747 -3.0579 5.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0402 -4.2060 5.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3907 -5.2524 4.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 -3.7630 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6173 -4.8524 2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -5.6036 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -6.7064 3.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6635 -5.3672 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -6.5362 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -8.3608 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 -8.4680 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2325 -5.4410 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -6.1966 3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 -7.0618 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 -7.2962 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 -7.6118 2.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -6.3792 3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 -4.6242 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 -5.4341 2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 -6.2935 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -6.8895 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 -5.2768 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 -3.9905 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4472 -3.9580 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -3.8475 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -5.4124 2.3405 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 1 0 29 30 2 0 29 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 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 2 0 55 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 2 0 69 70 1 0 70 71 1 0 71 72 2 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 1 27114 1 0 27115 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 39133 1 0 40134 1 0 40135 1 0 41136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 47148 1 0 47149 1 0 48150 1 0 48151 1 0 49152 1 0 49153 1 0 50154 1 0 50155 1 0 51156 1 0 51157 1 0 52158 1 0 52159 1 0 53160 1 0 53161 1 0 53162 1 0 57163 1 0 57164 1 0 58165 1 0 58166 1 0 59167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 61172 1 0 62173 1 0 62174 1 0 63175 1 0 63176 1 0 64177 1 0 64178 1 0 65179 1 0 65180 1 0 66181 1 0 66182 1 0 67183 1 0 67184 1 0 68185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 72190 1 0 73191 1 0 73192 1 0 74193 1 0 74194 1 0 75195 1 0 75196 1 0 76197 1 0 76198 1 0 77199 1 0 77200 1 0 77201 1 0 M END