HMDB0054922 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) 168167 0 0 0 0 0 0 0 0999 V2000 -8.5156 0.3165 -1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1191 1.2549 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5419 0.5306 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0501 0.7623 2.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0147 1.7106 2.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9492 0.9927 3.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6962 0.9572 3.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 1.5498 2.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4754 2.3612 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 3.6241 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 4.4238 1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0507 5.5683 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 5.8643 3.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 5.2919 4.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 4.1170 4.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 4.1035 5.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 5.3128 5.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 5.6455 5.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 4.7946 5.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 3.3361 5.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 2.8618 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 1.3881 5.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 0.6686 6.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 0.8027 4.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -0.6024 3.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 -0.9724 2.5224 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0365 -2.2022 2.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -3.4541 2.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 -4.5866 2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 -4.2671 1.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -5.9837 2.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -6.7694 1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -6.6914 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 -7.8139 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 -9.1172 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 -9.9871 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -9.8467 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -8.7701 -1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 -8.1610 -1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 -6.8746 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 -5.9123 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -5.0311 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -3.7132 -0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 -3.0332 -1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 -2.2803 -2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 -1.0095 -2.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.0665 -2.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 1.0484 -1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 0.5689 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 1.7667 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 2.8738 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -0.6767 2.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 0.3691 1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 1.0996 0.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 0.6552 1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 1.7473 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3683 1.4534 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.5770 -2.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 2.2319 -3.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2258 3.2621 -4.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 2.9712 -5.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 1.6498 -6.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 1.4361 -7.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 0.1192 -8.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0575 -1.0303 -7.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 -1.0058 -7.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -2.1775 -6.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -2.1770 -5.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -0.0983 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7632 0.8649 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0234 -0.4929 -0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0696 1.7039 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4247 2.0648 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3245 -0.2420 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4811 0.1378 2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7415 2.3810 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5036 2.3645 3.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3258 0.3995 4.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 0.2929 3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 1.9686 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 0.6288 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1828 1.8928 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 4.1771 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 4.9304 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 3.9030 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5621 6.2286 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 6.8002 3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 6.1235 5.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7004 4.9913 5.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 3.1092 4.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 3.1619 5.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 6.2075 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 5.1432 6.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 6.7517 5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 5.5547 3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 4.9719 6.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 5.1955 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 3.0160 4.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 2.7980 5.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 3.2381 6.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 3.3026 4.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -1.0453 4.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -0.9954 4.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -0.1365 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 -2.1844 2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -2.2443 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -6.4193 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -6.2627 3.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -6.2123 2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 -7.7425 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 -5.7162 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 -7.5890 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 -9.6943 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -9.1431 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -10.9904 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -10.6944 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 -8.1240 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -9.3657 -2.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 -8.8427 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9997 -6.4690 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -6.3523 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -5.3638 -2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 -5.4097 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 -3.0503 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -3.6080 -2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -2.2834 -1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 -2.9137 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.6495 -3.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -0.4199 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 0.4536 -3.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 1.5922 -2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 1.7982 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 -0.2130 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 0.2329 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 1.4964 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 2.1372 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 2.5652 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 3.6685 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 3.3692 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -0.3140 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3265 0.8538 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6255 2.6935 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 1.8746 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 0.5130 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2903 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 3.5549 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 2.5465 -2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 2.1634 -3.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 1.2437 -3.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 4.2615 -4.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 3.3574 -4.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 3.7943 -6.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 3.0032 -5.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 1.6239 -6.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.8571 -5.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 2.2376 -8.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 1.5492 -7.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 0.0729 -8.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 0.0536 -9.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -0.9893 -6.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 -1.9670 -7.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 -1.1412 -8.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -0.0824 -6.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -3.1497 -6.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -2.0966 -5.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 -2.5985 -6.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -2.8351 -4.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 -1.1478 -5.5756 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 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 1 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 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 0 25103 1 0 26104 1 6 27105 1 0 27106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 51139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 65160 1 0 65161 1 0 66162 1 0 66163 1 0 67164 1 0 67165 1 0 68166 1 0 68167 1 0 68168 1 0 M END