HMDB0034262 RDKit 3D Byssochlamic acid 44 46 0 0 0 0 0 0 0 0999 V2000 -4.9589 0.2832 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 0.7012 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -0.5364 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -0.4110 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 0.6154 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 1.6551 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.7409 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 0.9175 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 -0.4852 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6466 -0.4400 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 0.3809 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -0.9250 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 -2.0720 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -1.7960 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 -3.1073 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -3.4110 -0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 -4.0800 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -3.4795 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -4.0021 0.5009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 2.9388 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 3.4111 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 3.5887 -0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 2.7892 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 3.1268 -0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -0.1519 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0993 -0.4843 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5687 1.1846 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 0.9988 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5342 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3133 -0.8088 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -1.3199 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -0.0409 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 0.4091 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 1.2475 1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 1.4036 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 0.6279 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 -1.0248 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.5100 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -0.0877 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 1.2782 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 0.5802 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -0.2208 -2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 -0.7519 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 -0.2664 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 9 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 7 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 14 4 1 0 23 6 1 0 18 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 M END