HMDB0040358 RDKit 3D (R)-Bitalin A 30 31 0 0 0 0 0 0 0 0999 V2000 -3.6245 -1.1977 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 -0.0975 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 0.6920 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 1.9555 0.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 0.4102 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 -0.5353 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -0.2191 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -0.4508 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.0739 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -0.3469 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 0.0271 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 -0.9366 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 0.5676 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 0.8158 -1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 0.4253 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 0.5489 -0.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 -1.8576 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 -1.4609 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 0.7341 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2922 0.1696 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0332 2.4809 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 1.4261 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -0.2801 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -1.6047 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -0.9525 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 0.0380 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 0.9932 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 -0.7281 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 0.8675 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.3232 -2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 9 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 5 1 0 15 7 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 M END