HMDB0033986 RDKit 3D Demethylvestitol 33 35 0 0 0 0 0 0 0 0999 V2000 5.4556 0.7941 -1.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 0.5269 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 1.5007 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 1.1552 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 -0.1396 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -0.4967 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 0.7246 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0296 1.4587 0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 0.7597 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 1.2841 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3616 0.5381 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 1.0903 -0.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1257 -0.7610 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 -1.2989 -0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 -0.5357 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 -1.1277 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 -1.1055 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.4382 0.4136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -0.7829 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 0.9626 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 2.5304 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 1.9531 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.2719 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 1.3639 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 0.3798 2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5045 2.3231 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 2.0245 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9085 -1.3947 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -2.3311 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -2.2333 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 -1.1469 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -2.7385 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -1.5673 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 5 17 1 0 17 18 1 0 17 19 2 0 19 2 1 0 16 6 1 0 15 9 1 0 1 20 1 0 3 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 16 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 M END