HMDB0030391 RDKit 3D Cepharadione B 39 42 0 0 0 0 0 0 0 0999 V2000 4.3087 2.0300 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 0.8159 0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 0.7602 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 1.9484 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 1.9497 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.7554 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 0.7737 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -0.3828 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 -1.5670 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -2.7557 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9678 -3.9689 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -4.0296 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 -2.8432 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.6301 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 -0.4581 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 -0.4646 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3868 -1.5614 0.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -1.9554 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5318 1.9778 -0.4609 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 1.9303 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 3.2193 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 4.3095 -0.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4447 3.2405 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 4.3172 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2967 1.8254 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 2.7834 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 2.4698 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 2.8977 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 -0.4208 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -2.7246 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 -4.8859 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -4.9484 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 -2.9515 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -3.0073 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 -1.2701 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 -1.9439 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3855 2.9345 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 1.2997 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 1.5306 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 7 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 16 3 1 0 23 5 1 0 15 6 1 0 14 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 M END