HMDB0002336 RDKit 3D Biflorin 43 45 0 0 0 0 0 0 0 0999 V2000 6.5062 0.4173 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 0.2238 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -0.1376 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 -0.3158 -1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -0.6504 -2.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -0.1051 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 -0.2865 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -0.6350 -2.3532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 -0.1013 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -0.1555 -0.7491 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7571 0.9045 -0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 1.0191 -0.1616 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5716 1.9366 0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 3.1914 0.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -0.2645 0.0991 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1432 -0.0993 -0.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 -1.3390 -0.7624 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9154 -2.5255 -0.6451 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -1.4725 -0.3385 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2284 -2.4427 -1.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 0.2562 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 0.4602 1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 0.4461 1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.2546 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 0.4032 1.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5562 -0.2827 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 1.4472 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3111 0.1929 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -0.3087 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -0.8690 -3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 -0.0431 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4139 1.5388 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 1.9924 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4372 1.3566 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 3.4946 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 -0.4850 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6308 -0.6711 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 -0.9583 -1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0704 -2.9067 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -1.7124 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -2.2607 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 0.7397 2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 0.7530 2.5929 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 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 9 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 2 1 0 24 6 1 0 19 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 8 30 1 0 10 31 1 6 12 32 1 6 13 33 1 0 13 34 1 0 14 35 1 0 15 36 1 1 16 37 1 0 17 38 1 6 18 39 1 0 19 40 1 1 20 41 1 0 22 42 1 0 23 43 1 0 M END