HMDB0055926 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/O-18:0) 168167 0 0 0 0 0 0 0 0999 V2000 5.8330 8.1654 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 6.7926 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 6.4105 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 5.4012 1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 4.3031 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7622 4.2965 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7053 3.4335 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8321 2.2059 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 1.0098 -1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 0.1771 -2.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 0.2437 -3.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -0.9922 -3.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 -1.1276 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 -0.1076 -3.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 -0.0428 -4.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7495 1.0605 -5.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 2.4269 -5.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 3.3586 -5.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 3.8676 -4.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 3.5911 -2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 4.8265 -1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 4.1982 -0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 3.7992 -0.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.0532 0.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 3.4367 1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5658 3.2974 2.6544 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1339 2.4205 3.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 1.1797 3.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 0.2017 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 0.3811 2.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 -0.8522 1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -2.0007 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 -1.6730 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -2.8818 -0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -3.5976 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 -4.7875 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -5.7708 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -6.4522 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -7.2813 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -7.9275 1.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5109 -8.8275 2.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 -9.4787 3.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -8.4762 4.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -7.6916 5.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -6.7352 6.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -7.4810 7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 4.5814 3.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 5.0495 2.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 4.2654 1.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 6.3734 2.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 6.6443 2.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9681 5.6744 2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1955 5.9350 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1723 4.8897 1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5733 3.9957 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1001 3.9198 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2892 4.0107 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6364 3.0940 -2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 1.8651 -2.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6659 0.6550 -2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8249 -0.2596 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2798 -0.2540 -4.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -1.4215 -4.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0799 -2.7121 -4.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1628 -3.9172 -4.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 -5.2141 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 8.9463 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 8.4269 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6303 8.2165 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7247 6.1264 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 6.9550 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 7.1307 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 5.3431 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 4.3194 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 3.3038 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4952 5.1442 -0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 3.5904 -2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 2.1084 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 2.3006 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 0.8912 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3539 -0.6859 -2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 0.3074 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 1.1522 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 -1.9048 -3.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -2.1663 -3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 0.8785 -3.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -0.4957 -2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 -0.9847 -5.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 1.0299 -6.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 2.7522 -6.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 2.4528 -4.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 3.6128 -6.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 4.5644 -4.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 3.0831 -2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 2.8281 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 5.2699 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7347 5.5501 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 2.4228 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 3.9598 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 2.8277 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 2.4402 4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 2.9136 4.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.6983 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.2074 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 0.7209 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3193 1.1002 2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 -0.5867 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -1.1889 3.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -2.7935 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -2.4345 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -1.2982 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 -0.9253 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 -2.6527 -1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 -3.5835 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 -2.9157 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -3.8923 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -5.1510 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -4.3539 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -5.3062 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -6.5665 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -7.1466 -0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -5.7228 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 -8.1054 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -6.6715 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 -7.1448 2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -8.5354 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -9.6398 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 -8.2906 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -10.1436 4.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 -10.0315 3.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -9.0289 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 -7.7435 4.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -7.1402 4.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -8.3451 5.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 -5.9612 5.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -6.2035 6.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -8.4134 7.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 -6.8977 8.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 -7.7028 7.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 7.1713 2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 6.4566 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 6.7810 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 7.6510 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7733 4.6178 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 5.8450 3.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 6.9365 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 5.9933 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5983 4.8477 2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3057 3.2383 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5279 2.9817 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4457 4.7706 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9394 4.8960 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5243 3.1851 -2.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 1.8590 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 1.7686 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0965 0.5923 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4476 -1.1275 -2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1802 -0.5608 -4.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9646 0.6771 -4.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7941 -1.3589 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6009 -1.3452 -3.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6411 -2.7725 -3.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8525 -2.8231 -5.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 -3.8855 -3.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -3.9173 -5.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8043 -5.1387 -3.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2346 -5.9869 -3.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2384 -5.6102 -5.3100 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 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 46139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 61157 1 0 62158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 65164 1 0 65165 1 0 66166 1 0 66167 1 0 66168 1 0 M END