HMDB0055905 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 191190 0 0 0 0 0 0 0 0999 V2000 3.7589 -1.5888 -9.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -0.7980 -8.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 -0.9580 -7.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 0.0249 -6.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 1.4250 -7.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 2.2754 -6.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 3.3318 -5.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9332 3.8693 -5.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8821 5.2761 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 6.2961 -5.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 6.2081 -4.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 6.8062 -3.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 6.2279 -3.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3573 4.8296 -3.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8237 4.8449 -1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 4.1812 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2974 3.2143 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 3.5396 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9872 3.6372 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4663 3.4284 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 4.6412 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 4.8987 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 5.7466 -0.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 4.1707 -1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 4.3484 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0137 3.4728 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 2.0999 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 1.1369 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 0.3673 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 0.9091 -1.6811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2594 -1.0378 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -1.6201 -2.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.9940 -3.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 -4.0599 -2.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 -4.0536 -1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 -4.6116 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1281 -5.1633 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 -5.3607 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 -6.8159 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -7.2932 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1305 -6.3453 1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 -6.7353 3.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 -7.0514 4.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -7.0548 3.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -8.4100 4.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 -8.7182 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 -7.8158 6.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -6.3965 6.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 -5.6149 6.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -6.0420 8.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3966 -5.4107 9.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 3.3996 -2.3852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 3.7959 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 4.3464 -2.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 3.5568 -4.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 2.4717 -4.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 2.7483 -4.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 1.5884 -4.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5717 0.2975 -4.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 0.4444 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5472 -0.8949 -1.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8953 -0.7460 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -1.9489 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -2.4803 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -1.4934 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -2.1828 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -1.2762 2.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 -1.9249 2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -0.9743 3.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 0.3533 2.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 1.2020 3.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4189 1.4146 4.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 2.1034 4.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 2.2524 5.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 2.9515 5.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 3.0856 7.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 3.7926 6.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 -1.6819 -10.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -2.6058 -9.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 -1.0933 -10.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 -1.3788 -8.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 0.1786 -9.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 -1.9795 -6.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -0.1246 -5.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 1.7180 -7.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 1.4769 -8.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 1.9710 -6.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 3.8786 -5.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 3.3333 -6.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4569 3.7497 -4.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 5.3848 -7.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 7.3014 -6.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 5.2390 -3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 6.8401 -3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 7.9051 -4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 6.9122 -3.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 4.2641 -3.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1534 4.4208 -3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6845 5.5294 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8702 4.3146 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7872 2.2489 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 2.8649 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 3.7184 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 3.8888 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 3.2410 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 2.5967 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 5.5500 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 4.6535 -2.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 4.2280 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 5.4460 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 4.0155 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 2.3475 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 1.8598 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.6455 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -0.9709 -2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -1.0084 -3.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -1.4665 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -3.0670 -3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 -5.0142 -3.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 -4.5994 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 -3.0140 -1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -4.5652 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 -5.5629 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 -4.7489 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -5.0243 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -7.4455 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -8.3709 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -6.5658 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -5.3003 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -6.7616 3.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0197 -7.3330 4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 -6.9573 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3368 -6.2066 4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -9.2283 3.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3661 -9.8408 5.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -8.1387 7.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -8.1741 6.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 -5.9132 5.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 -4.5221 6.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 -7.0973 8.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -5.6016 8.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 -6.1067 9.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8493 -4.4480 9.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 -5.1095 10.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 4.5282 -4.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 3.2635 -4.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 1.5081 -4.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 2.3531 -5.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 3.6088 -5.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1538 3.0887 -3.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9518 1.8312 -4.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 1.4118 -5.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3186 -0.4426 -4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 -0.1034 -4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 1.1899 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 0.6618 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -1.0646 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 -1.7272 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9358 -0.3432 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2304 0.0535 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1749 -1.7147 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 -2.7811 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 -3.4017 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -2.7344 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 -1.2310 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 -0.6286 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1954 -3.1477 1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -2.4067 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 -0.3611 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -0.8748 2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -2.8818 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.1168 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -0.8215 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -1.4406 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 0.2708 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.9002 2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 0.6099 3.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 2.1599 2.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 2.1037 5.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 0.4818 5.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 3.0961 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6007 1.4275 3.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 2.8427 6.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 1.2325 6.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 2.4409 4.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 3.9954 5.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 2.0990 7.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 3.6369 7.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 4.8633 6.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 3.2495 6.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 3.6851 7.8241 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 2 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 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 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 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 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 0 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 76187 1 0 76188 1 0 77189 1 0 77190 1 0 77191 1 0 M END