HMDB0030756 RDKit 3D 13alpha-Hydroxydolineone 38 43 0 0 0 0 0 0 0 0999 V2000 -0.4194 0.6829 2.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 0.6469 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 0.2947 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 -0.1129 1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1904 -0.4471 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3626 -0.8736 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3173 -1.0424 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7463 -0.7309 -0.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 -0.3732 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 0.0322 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.3631 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 0.7765 -1.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 0.5245 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 1.3618 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 1.5618 -1.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 0.7530 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0534 0.3273 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -0.4626 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 -0.8312 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 -0.3860 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 0.4013 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.9302 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 2.3452 -0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -1.6254 2.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 -1.7698 2.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6095 -1.0341 0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 -0.1721 2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 -1.0431 2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3461 -1.3643 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 0.0984 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.5492 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 0.8723 -3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 2.3577 -2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 0.6238 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -0.6741 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 2.7336 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 -1.3536 2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7209 -2.8415 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 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 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 22 2 1 0 11 3 1 0 22 13 1 0 9 5 2 0 21 16 1 0 26 18 1 0 4 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 17 34 1 0 20 35 1 0 23 36 1 0 25 37 1 0 25 38 1 0 M END