HMDB0004667 RDKit 3D 13-HODE 53 52 0 0 0 0 0 0 0 0999 V2000 7.7431 -0.6891 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4549 0.7924 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 0.9803 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1633 0.1769 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 0.3161 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 -0.1690 1.1967 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8624 -1.5241 1.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -0.1055 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -0.1380 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -0.0758 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -0.1051 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 -0.2043 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 0.9813 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 1.0019 -1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -0.2374 -1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5034 -0.3776 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0768 -0.4642 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9035 0.6586 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7313 0.2686 2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2963 -0.5465 2.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9649 0.8746 2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8199 -0.8864 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0979 -1.1003 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4369 -1.1372 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 1.3304 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5941 1.1769 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 2.0404 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 0.5879 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -0.9140 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3921 0.4787 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 1.3476 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 -0.3228 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.3530 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -2.1102 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 -0.0287 2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -0.2093 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 0.0028 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -0.0643 0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -0.2206 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.1778 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 1.0017 -2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 1.8852 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5115 1.1709 -0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8919 1.9287 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 -1.1282 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8067 -0.3786 -2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.3271 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0127 0.4860 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7311 -1.4103 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2035 -0.6561 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2428 1.6415 0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8811 0.6981 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7906 0.5056 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 1 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END