Chem
J-GLOBAL ID:200907036861289103
Nikkaji number:J2.299.270H
(2S)-2′-Hydroxy-5-methoxy-7-(β-D-glucopyranuronosyloxy)flavanone
(2S)-2′-ヒドロキシ-5-メトキシ-7-(β-D-グルコピラヌロノシルオキシ)フラバノン
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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:
C22 H22 O11
Molecular formula furigana:
C22-H22-O11
Molecular weight:
462.407
InChI:
InChI=1S/C22H22O11/c1-30-14-6-9(31-22-19(27)17(25)18(26)20(33-22)21(28)29)7-15-16(14)12(24)8-13(32-15)10-4-2-3-5-11(10)23/h2-7,13,17-20,22-23,25-27H,8H2,1H3,(H,28,29)/t13-,17-,18-,19+,20-,22+/m0/s1
InChI key:
RYJWOWHMBGOYAT-ZQUMRXHJSA-N
SMILES:
COc1cc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc2O[C@@H](CC(=O)c12)c1ccccc1O
Systematic name (3):
(2S)-2′-ヒドロキシ-5-メトキシ-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)-3,4,5-トリヒドロキシ-6-{[(2S)-2-(2-ヒドロキシフェニル)-5-メトキシ-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル]オキシ}オキサン-2-カルボン酸
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S)-2-(2-hydroxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
Other name (1):
(2S)-2′-Hydroxy-5-methoxy-7-(β-D-glucopyranuronosyloxy)flavanone
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