Mol:FL6DDANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 1.1207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 4 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 1 15 1 6 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 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 10 24 1 0 0 0 0 5 26 1 1 0 0 0 6 28 1 1 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FL6DDANP0001 KNApSAcK_ID C00013270 NAME 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan CAS_RN 462109-98-4 FORMULA C23H26O6 EXACTMASS 398.172938564 AVERAGEMASS 398.44894 SMILES C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1 M END