Mol:FL4DACNC0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.3779 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8551 0.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 8 19 1 1 0 0 0 16 20 1 0 0 0 0 6 21 1 0 0 0 0 17 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL4DACNC0002 KNApSAcK_ID C00008660 NAME Gericudranin B CAS_RN 169592-16-9 FORMULA C22H18O8 EXACTMASS 410.100167552 AVERAGEMASS 410.37352000000004 SMILES C(C3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O M END