HMDB0062486 RDKit 3D 5,12-dihydroxy-6,8,10,14,17-eicosapentaenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 9.1406 1.6324 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0526 0.3044 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -0.6391 -1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4666 -0.2909 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 -1.2377 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 -0.6995 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 -1.3209 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -0.8700 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 0.3871 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2706 1.4773 0.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 0.7499 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 0.0465 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.4030 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -0.3428 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -0.0338 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 -0.7496 -1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7581 -0.5522 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 0.3223 -2.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 -0.0043 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9388 0.1285 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5908 0.6549 1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0432 0.8136 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5133 1.4796 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9094 0.2209 1.8571 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 2.1248 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 1.4566 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 2.2547 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 0.4668 -2.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 -0.1639 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0056 -1.6127 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 0.6811 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5527 -2.2022 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8429 -1.4672 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9815 0.2073 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -2.2378 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -1.6685 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 -0.7182 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8275 0.2249 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 2.2908 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 1.5920 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 -0.8226 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 1.2617 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -1.1843 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 0.8051 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 -1.5947 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2805 -1.5068 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 0.5063 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0577 1.0261 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -0.6467 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2873 -0.9422 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1501 0.7261 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3988 -0.0562 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 1.6015 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9136 -0.8139 1.8159 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 24 54 1 0 M END