HMDB0011580 RDKit 3D MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) 63 62 0 0 0 0 0 0 0 0999 V2000 8.4460 2.9768 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 1.6055 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4062 0.6848 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7948 0.1511 -1.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3767 0.4008 -2.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.8283 -2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 -1.0486 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 -0.0419 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1234 -0.6393 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 -0.8068 1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 -0.4179 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -1.6003 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 -1.7352 1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 -0.7502 2.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 -0.1205 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 -0.2787 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 -1.1223 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8523 -2.1619 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2181 -1.5704 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 -0.7605 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.7276 -1.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6751 0.0119 -0.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 0.8041 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3562 1.4426 -1.5035 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2325 0.3689 -1.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1849 2.1110 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4045 2.5683 0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5051 2.7779 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 3.5280 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 3.4948 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 1.8071 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9517 1.2303 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4885 0.4544 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3696 -0.5348 -2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 0.6647 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 1.3057 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9135 -1.6332 -2.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -1.9903 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 0.9200 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 0.2024 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 -0.9500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 -1.2651 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 0.4051 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 0.0103 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 -2.4358 0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 -2.6935 1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -1.2113 3.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 0.0493 2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 0.6056 3.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7534 0.3366 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 -1.5171 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -0.3842 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 -2.7215 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -2.9562 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 -0.9633 1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 -2.4434 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0445 0.2381 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2896 1.6591 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6994 2.1280 -2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8663 -0.1537 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4891 2.9780 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7421 1.4009 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1644 1.9978 0.0586 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 23 57 1 0 23 58 1 0 24 59 1 6 25 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 M END