HMDB0055563 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -0.5489 4.3403 5.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 3.8765 4.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 4.3501 2.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5321 3.5663 1.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 2.0702 1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 1.6025 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 1.0302 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 0.7627 -0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 -0.6381 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -0.9121 -2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.1470 -3.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.0930 -4.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -0.0046 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -0.0746 -6.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 1.1158 -7.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 2.0226 -7.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 1.9941 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 2.0020 -7.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 1.8923 -6.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4424 2.9628 -5.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6522 2.7769 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6826 3.7519 -3.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7681 4.2972 -2.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 4.0748 -2.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 4.9662 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 5.1047 -0.7451 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9843 5.9093 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 5.6076 1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 4.3772 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 3.3823 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 4.2062 3.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3402 2.8955 3.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3613 1.7160 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2603 0.5864 4.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7815 -0.7677 4.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -1.4816 3.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 -2.9045 3.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -3.5752 3.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5142 -3.1269 3.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 -3.3822 4.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 -2.5285 4.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3018 -1.0598 4.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6812 -0.8972 3.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 -0.1272 4.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 0.7324 5.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 0.3708 6.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.0397 7.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 -0.2030 8.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 0.6762 9.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 5.6246 -1.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 4.9076 -2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 3.8089 -1.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 5.3940 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 4.5865 -3.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 4.4614 -2.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 3.6564 -2.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 3.5939 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 2.8515 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.4248 -1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 0.5906 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 -0.8275 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -1.7403 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -3.1509 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 -4.0454 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -5.4692 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -5.5640 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -5.0594 -0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2565 -5.1484 -2.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -4.6429 -1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -4.7604 -3.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 -4.2700 -2.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9411 -2.8267 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -1.8903 -3.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 4.3382 4.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 3.6697 5.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 5.3793 5.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 2.7976 4.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 4.3573 4.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 5.4410 2.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3975 4.0060 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 1.8858 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 1.7103 2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 1.7454 2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 0.7252 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 1.5508 -1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.8821 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -1.3973 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -1.9670 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 -0.1657 -3.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 1.1743 -3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 0.1468 -3.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3701 -0.0365 -6.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -0.1440 -5.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 -0.9618 -7.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 1.2028 -8.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 2.8807 -8.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 1.2390 -5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 2.9977 -5.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 2.9431 -7.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 1.1262 -7.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 0.8774 -5.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0632 -6.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 3.9311 -5.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 2.9006 -4.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6104 2.8574 -4.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6493 1.7462 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 5.9677 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 4.5790 -0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 4.0670 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 6.9779 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 5.9915 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2607 4.6036 4.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 4.9108 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 2.5642 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 2.8928 4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 1.9311 4.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 1.4550 2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 0.6577 3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6882 0.9242 5.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6366 -1.3924 4.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0492 -0.7872 5.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8535 -1.3658 2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 -1.0253 3.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8991 -3.4103 3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -4.6489 3.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -2.1382 2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -3.8232 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -4.4316 4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -2.8151 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 -0.7931 3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -0.5395 5.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -1.5064 2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -0.1041 3.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.7936 5.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 1.7621 5.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.4545 6.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -0.2830 8.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 -0.0651 7.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 -1.2644 8.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 1.6597 8.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 0.8763 9.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 0.2441 9.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 6.4604 -2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 5.4931 -4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 5.1425 -4.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 3.6024 -3.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 5.4804 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 3.9733 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 4.2378 -3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 2.6752 -2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 4.6141 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 3.0678 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 2.8704 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 3.4023 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 1.3759 -2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2271 1.0094 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3889 0.5542 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 1.0259 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 -0.8709 -2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4616 -1.2004 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -1.3459 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5983 -1.7663 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 -3.2156 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -3.6044 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -3.6600 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -4.0679 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 -5.8559 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 -6.1154 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 -5.1067 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 -6.6614 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 -4.0886 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -5.7932 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -6.1829 -2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -4.5460 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -3.6124 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 -5.2881 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -4.2680 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -5.8347 -3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 -4.9079 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -4.4501 -3.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 -2.7396 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0149 -2.5499 -2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 -2.1882 -4.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7544 -0.8841 -3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 -1.8937 -3.2268 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 26 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 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 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 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 1 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 49142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 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 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 73185 1 0 M END