HMDB0004702 RDKit 3D 12,13-EpOME 53 53 0 0 0 0 0 0 0 0999 V2000 6.3274 0.5504 2.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7142 -0.3357 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -0.4171 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 -0.9337 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -0.2041 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 1.1844 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 2.0314 1.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 1.4784 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 0.6333 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 1.3031 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 0.7931 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.5772 -2.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 -1.4692 -2.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 -1.7250 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -0.6057 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 0.0739 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 1.2005 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5045 0.7805 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -0.1453 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4592 -1.3716 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9381 0.3500 1.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 -0.0695 2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6431 1.3661 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.0208 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 0.0866 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 -1.3494 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 0.6048 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -1.0606 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -2.0202 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -0.9666 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7848 -0.1226 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 -0.7528 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 1.6613 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 2.3347 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 0.6417 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.4072 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 2.3521 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.4207 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4405 -0.5749 -3.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.1078 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 -2.4356 -2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 -1.0717 -2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9801 -2.3479 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 -2.4539 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.0883 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 0.1504 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -0.7237 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 0.4555 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 1.8072 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 1.8846 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 0.3588 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8456 1.7149 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2993 0.9660 0.5180 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 7 8 1 0 8 9 1 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 8 6 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 0 8 34 1 0 9 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