HMDB0035230 RDKit 3D Aurantricholide B 33 36 0 0 0 0 0 0 0 0999 V2000 2.1720 -3.6484 0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -2.8774 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 -3.2087 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -2.1437 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -1.9102 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -0.6159 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -0.4277 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 0.8585 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9656 1.0795 0.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 1.9300 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 3.1933 -0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 1.7032 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 0.4211 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 0.2268 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -0.9760 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -1.5038 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 -0.6925 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -0.7753 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.0078 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.8501 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 1.6104 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9783 0.9215 0.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 0.1610 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9187 -2.7230 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7996 -1.2381 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 0.2848 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 4.0018 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 2.5738 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 -1.4257 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -0.0374 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 2.5331 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2939 1.6164 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 0.2460 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 2 1 0 23 17 1 0 15 4 1 0 13 6 1 0 5 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 18 29 1 0 19 30 1 0 21 31 1 0 22 32 1 0 23 33 1 0 M END