Chem
J-GLOBAL ID:200907011215294899
Nikkaji number:J2.746.247B
Isoflavone 7-O-beta-D-glucoside
イソフラボン7-O-β-D-グルコシド
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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:
C21 H20 O8
Molecular formula furigana:
C21-H20-O8
Molecular weight:
400.383
InChI:
InChI=1S/C21H20O8/c22-9-16-18(24)19(25)20(26)21(29-16)28-12-6-7-13-15(8-12)27-10-14(17(13)23)11-4-2-1-3-5-11/h1-8,10,16,18-22,24-26H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChI key:
CHVBPFQVSIWBOU-QNDFHXLGSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c2ccccc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
7-(β-D-グルコピラノシルオキシ)-3-フェニル-4H-1-ベンゾピラン-4-オン
3-フェニル-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
3-phenyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3):
7-(β-D-Glucopyranosyloxy)-3-phenyl-4H-1-benzopyran-4-one
Isoflavone 7-O-beta-D-glucoside
イソフラボン7-O-β-D-グルコシド
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