Chem
J-GLOBAL ID：200907006884491167   Nikkaji number：J2.299.269D

(2S)-2′,5,5′-Trihydroxy-7-(β-D-glucopyranuronosyloxy)flavanone

(2S)-2′,5,5′-トリヒドロキシ-7-(β-D-グルコピラヌロノシルオキシ)フラバノン
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： C21H20O12
Molecular formula furigana： C21-H20-O12
Molecular weight： 464.379
InChI： InChI=1S/C21H20O12/c22-7-1-2-10(23)9(3-7)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16-,17-,18+,19-,21+/m0/s1
InChI key： ODNWHTWVHZTXPB-CGXGPNJMSA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)ccc2O)O[C@@H]([C@H]1O)C(=O)O
Systematic name  (3)：
  • (2S)-2′,5,5′-トリヒドロキシ-7-(β-D-グルコピラヌロノシルオキシ)フラバノン
  • (2S,3S,4S,5R,6S)-6-{[(2S)-2-(2,5-ジヒドロキシフェニル)-5-ヒドロキシ-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-{[(2S)-2-(2,5-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • (2S)-2′,5,5′-Trihydroxy-7-(β-D-glucopyranuronosyloxy)flavanone
Thsaurus map：
Thesaurus Map

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