HMDB0033925 RDKit 3D Oroselone 27 29 0 0 0 0 0 0 0 0999 V2000 4.2144 -0.9590 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 0.0366 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 1.4340 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -0.2809 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 0.6487 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 -0.0723 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 -1.4019 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 -2.3366 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -1.9615 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -0.6360 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 -0.1984 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 1.1645 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 2.0136 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2741 3.2633 -0.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 1.5997 -0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 0.3008 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -1.4783 0.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -0.8023 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -2.0042 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 1.8143 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 2.0727 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 1.4517 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 1.7226 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 -3.3663 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -2.6762 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7305 -0.9141 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1709 1.5657 -0.2810 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 7 17 1 0 17 4 1 0 16 6 1 0 16 10 2 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 M END