HMDB0260504 RDKit 3D MG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0/0:0) 68 67 0 0 0 0 0 0 0 0999 V2000 -8.2630 5.7575 2.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2536 4.2658 3.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7217 3.5520 2.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6531 2.8177 2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8235 2.6198 3.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4281 3.1486 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 4.4977 2.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 2.4725 1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.1527 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 0.5451 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3463 -0.7333 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -1.3070 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -0.3070 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -0.1975 -2.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -0.9351 -1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 -1.9974 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 -3.2635 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7890 -2.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -4.2984 -1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -3.8361 -2.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.7463 -3.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -1.5668 -2.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 -1.9132 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -2.1299 -2.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 -1.9915 -0.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3716 -2.2510 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3933 -1.1503 -0.0417 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5155 -1.5995 0.7431 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9339 -0.7802 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9715 0.2007 -1.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1926 6.0512 2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7269 6.3491 3.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 5.8602 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7455 4.2088 4.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3316 4.0405 3.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2742 3.6433 1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 2.2991 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7565 1.5122 3.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 3.1665 4.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 3.1191 3.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3764 4.6559 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 3.0098 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4285 0.5340 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 1.1465 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8361 -1.4085 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 -1.7681 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 -2.1413 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 0.4364 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 0.6535 -2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 -0.1591 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 -1.2170 -2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -1.7729 0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 -3.9965 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 -3.1114 -2.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6094 -4.7353 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 -5.1169 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -4.2945 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 -2.4648 -3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -3.1349 -3.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -0.7964 -3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -1.0992 -1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2088 -2.6031 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -3.1658 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9814 -0.2527 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7438 -0.8726 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -1.6335 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 -0.2257 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 1.0466 -0.9828 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 26 62 1 0 26 63 1 0 27 64 1 1 28 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 M END