Chem
J-GLOBAL ID：200907086757061777   Nikkaji number：J2.215.602K

(4Z)-1-(4-Hydroxy-3-methoxyphenyl)-7-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-5-hydroxy-4-heptene-3-one

(4Z)-1-(4-ヒドロキシ-3-メトキシフェニル)-7-[4-(β-D-グルコピラノシルオキシ)-3-メトキシフェニル]-5-ヒドロキシ-4-ヘプテン-3-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： C27H34O11
Molecular formula furigana： C27-H34-O11
Molecular weight： 534.558
InChI： InChI=1S/C27H34O11/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/h5-6,9-13,23-28,30-34H,3-4,7-8,14H2,1-2H3/b18-13-/t23-,24-,25+,26-,27-/m1/s1
InChI key： ZOEYKNQDFJDUTG-HSGMXOQJSA-N
SMILES： COc1cc(CCC(=O)/C=C(\O)/CCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
Systematic name  (3)：
  • (4Z)-1-(4-ヒドロキシ-3-メトキシフェニル)-7-[4-(β-D-グルコピラノシルオキシ)-3-メトキシフェニル]-5-ヒドロキシ-4-ヘプテン-3-オン
  • (4Z)-5-ヒドロキシ-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-4-エン-3-オン
  • (4Z)-5-hydroxy-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)hept-4-en-3-one
Other name (1)：
  • (4Z)-1-(4-Hydroxy-3-methoxyphenyl)-7-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-5-hydroxy-4-heptene-3-one
Thsaurus map：
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