Mol:FL6F1CNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 23 0 0 0 0 0 0 0 0999 V2000 -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 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 11 1 0 0 0 0 1 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 S SKP 8 ID FL6F1CNS0005 KNApSAcK_ID C00008773 NAME 7-Hydroxy-3',4'-methylenedioxyflavan CAS_RN 95519-19-0 FORMULA C16H14O4 EXACTMASS 270.089208936 AVERAGEMASS 270.27996 SMILES Oc(c4)cc(O1)c(c4)CCC1c(c2)cc(O3)c(OC3)c2 M END