HMDB0012451 RDKit 3D all-trans-5,6-Epoxyretinoic acid 51 52 0 0 0 0 0 0 0 0999 V2000 1.9262 -0.4409 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.0220 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 -0.2780 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 -0.1372 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 -0.3912 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 -1.6575 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6911 -1.2701 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 -1.9383 1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1501 -1.0816 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6418 -0.4293 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 0.2421 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 0.7935 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 1.6921 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 1.5935 -1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 0.2114 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 0.2397 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.2702 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 0.0668 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -0.3238 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8187 0.2547 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 0.0655 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0966 -0.2969 -1.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 0.2984 0.5675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -1.2935 -0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 0.5202 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -0.6238 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 -0.5853 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 0.1714 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8772 -2.8383 2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -2.1784 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3871 -1.1863 2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 -0.5634 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 -2.1138 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4211 0.3374 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -1.1505 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0313 1.1044 -2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1197 -0.4837 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 1.2978 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1527 1.7838 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6679 2.7476 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 2.1761 -2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 2.3327 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 0.9114 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 0.4809 2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 1.4340 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7669 0.2933 2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 0.4275 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.3717 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0147 -1.3105 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 0.5743 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3171 0.3640 1.5759 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 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 2 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 7 5 1 0 12 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 23 51 1 0 M END