Chem
J-GLOBAL ID：200907059386130145   Nikkaji number：J2.363.218G

2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-β-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one

2-(4-ヒドロキシフェニル)-7-[6-O-(3,5-ジヒドロキシ-3-メチル-1,5-ジオキソペンチル)-β-D-グルコピラノシルオキシ]-5-ヒドロキシ-6,8-ジメトキシ-4H-1-ベンゾピラン-4-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： C29H32O16
Molecular formula furigana： C29-H32-O16
Molecular weight： 636.559
InChI： InChI=1S/C29H32O16/c1-29(39,9-17(32)33)10-18(34)42-11-16-20(35)22(37)23(38)28(44-16)45-27-25(40-2)21(36)19-14(31)8-15(43-24(19)26(27)41-3)12-4-6-13(30)7-5-12/h4-8,16,20,22-23,28,30,35-39H,9-11H2,1-3H3,(H,32,33)/t16-,20-,22+,23-,28+,29?/m1/s1
InChI key： KUBRQWGDWMRDKB-MVSAVPHTSA-N
SMILES： COc1c(O)c2c(oc(cc2=O)c2ccc(O)cc2)c(OC)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-7-[6-O-(3,5-ジヒドロキシ-3-メチル-1,5-ジオキソペンチル)-β-D-グルコピラノシルオキシ]-5-ヒドロキシ-6,8-ジメトキシ-4H-1-ベンゾピラン-4-オン
  • 3-ヒドロキシ-3-メチル-5-オキソ-5-{[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[5-ヒドロキシ-2-(4-ヒドロキシフェニル)-6,8-ジメトキシ-4-オキソ-4H-クロメン-7-イル]オキシ}オキサン-2-イル]メトキシ}ペンタン酸
  • 3-hydroxy-3-methyl-5-oxo-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}pentanoic acid
Other name (1)：
  • 2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-β-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
Thsaurus map：
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