Chem
J-GLOBAL ID：200907053088057046
Nikkaji number：J702.561K
Acacetin 7-glucuronide
アカセチン7-グルクロニド
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
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
Molecular formula： C22H20O11
Molecular formula furigana： C22-H20-O11
Molecular weight： 460.391
InChI：
InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)14-8-13(24)16-12(23)6-11(7-15(16)32-14)31-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
InChI key：
ZWVNKIJIVBIMSW-SXFAUFNYSA-N
SMILES：
COc1ccc(cc1)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2o1
Systematic name (3)：
- 5-ヒドロキシ-7-[(β-D-グルコピラヌロノシル)オキシ]-2-(4-メトキシフェニル)-4H-1-ベンゾピラン-4-オン
- (2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[5-ヒドロキシ-2-(4-メトキシフェニル)-4-オキソ-4H-クロメン-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-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
- アカセチン7-グルクロニド
- Acacetin 7-glucuronide
- 5-Hydroxy-7-[(β-D-glucopyranuronosyl)oxy]-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
- アカセチン7-O-グルクロニド
- Acacetin 7-O-glucronide
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