Chem
J-GLOBAL ID：200907080018587509   Nikkaji number：J431.522G

[3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl]6-O-carboxyacetyl-β-D-glucopyranoside

[3-(4-ヒドロキシフェニル)-6-メトキシ-4-オキソ-4H-1-ベンゾピラン-7-イル]6-O-カルボキシアセチル-β-D-グルコピラノシド
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： C25H23O12[O-]
Molecular formula furigana： C25-H23-O13
Molecular weight： 531.447
InChI： InChI=1S/C25H23O13/c1-35-15-7-13-16(36-8-14(19(13)27)10-2-4-11(26)5-3-10)6-12(15)18(23(31)32)24(33)37-9-17-20(28)21(29)22(30)25(34)38-17/h2-8,17-18,20-22,25-26,28-30H,9H2,1H3,(H,31,32)/q-1/t17-,18?,20-,21+,22-,25-/m1/s1
InChI key： LLSGKTTZWORNEV-KZRDCWFRSA-N
SMILES： COc1cc2c(cc1C(C(=O)O)C(=O)OC[C@H]1O[C@@H]([O-])[C@H](O)[C@@H](O)[C@@H]1O)occ(c1ccc(O)cc1)c2=O
Systematic name  (3)：
  • [3-(4-ヒドロキシフェニル)-6-メトキシ-4-オキソ-4H-1-ベンゾピラン-7-イル]6-O-カルボキシアセチル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-6-[({2-カルボキシ-2-[3-(4-ヒドロキシフェニル)-6-メトキシ-4-オキソ-4H-クロメン-7-イル]アセチル}オキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-オラート
  • (2R,3R,4S,5S,6R)-6-[({2-carboxy-2-[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]acetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-olate
Other name (1)：
  • [3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl]6-O-carboxyacetyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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