Chem
J-GLOBAL ID：200907013133593416   Nikkaji number：J1.964.531B

1-(3-Methoxy-4-hydroxyphenyl)-7-[3-methoxy-4-(β-D-glucopyranosyloxy)phenyl]-1,6-heptadiene-3,5-dione

1-(3-メトキシ-4-ヒドロキシフェニル)-7-[3-メトキシ-4-(β-D-グルコピラノシルオキシ)フェニル]-1,6-ヘプタジエン-3,5-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H30O11
Molecular formula furigana： C27-H30-O11
Molecular weight： 530.526
InChI： InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-12,23-28,31-34H,13-14H2,1-2H3/t23-,24-,25+,26-,27-/m1/s1
InChI key： LVMBIHPDKVZZOB-IURCNINISA-N
SMILES： COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
Systematic name  (4)：
  • 1-[3-メトキシ-4-(β-D-グルコピラノシルオキシ)フェニル]-7-(3-メトキシ-4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
  • 1-(3-メトキシ-4-ヒドロキシフェニル)-7-[3-メトキシ-4-(β-D-グルコピラノシルオキシ)フェニル]-1,6-ヘプタジエン-3,5-ジオン
  • 1-(4-ヒドロキシ-3-メトキシフェニル)-7-(3-メトキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)ヘプタ-1,6-ジエン-3,5-ジオン
  • 1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,6-diene-3,5-dione
Other name (2)：
  • 1-[3-Methoxy-4-(β-D-glucopyranosyloxy)phenyl]-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
  • 1-(3-Methoxy-4-hydroxyphenyl)-7-[3-methoxy-4-(β-D-glucopyranosyloxy)phenyl]-1,6-heptadiene-3,5-dione
KEGG COMPOUND： C17749
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