HMDB0037189 RDKit 3D Rhodinyl isobutyrate 42 41 0 0 0 0 0 0 0 0999 V2000 4.8643 -1.0343 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 -0.2226 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 0.6083 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -0.0135 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -0.5971 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.0141 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 -0.6275 1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 0.0006 2.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -0.6442 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 0.7182 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 0.6480 -0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 0.1088 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -0.3646 1.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 0.0693 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 1.4691 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7716 -0.5789 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -1.0538 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 -1.7164 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 0.1302 -2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 1.5945 -2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 0.6861 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 1.0791 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -0.5023 -2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -0.5156 -1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -1.6826 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 1.1013 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 -0.0788 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1206 -1.6884 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 1.0886 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -0.2416 3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 -0.5378 3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2112 -1.1558 1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4802 -1.2835 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 1.2686 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 1.3452 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 -0.5636 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 2.1474 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8514 1.7594 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2883 1.5353 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7638 -0.3977 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 -0.0734 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6354 -1.6819 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 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 2 0 12 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 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 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END