Chem
J-GLOBAL ID：200907037973534310
Nikkaji number：J1.465.665K
Afrormosin 7-(6-malonylglucoside)
アフロルモシン7-(6-マロニルグルコシド)
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： C26H26O13
Molecular formula furigana： C26-H26-O13
Molecular weight： 546.481
InChI：
InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/t19-,23-,24+,25-,26-/m1/s1
InChI key：
HOWDEROVXAADRI-OMJUENHASA-N
SMILES：
COc1ccc(cc1)c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2c1=O
Systematic name (4)：
- 7-[[6-O-(カルボキシアセチル)-β-D-グルコピラノシル]オキシ]-4′,6-ジメトキシイソフラボン
- 3-(4-メトキシフェニル)-6-メトキシ-7-[6-O-(カルボキシアセチル)-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
- 3-オキソ-3-{[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[6-メトキシ-3-(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-イル]メトキシ}プロパン酸
- 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid
- 7-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-4′,6-dimethoxyisoflavone
- アフロルモシン7-(6-マロニルグルコシド)
- Afrormosin 7-(6-malonylglucoside)
- 3-(4-Methoxyphenyl)-6-methoxy-7-[6-O-(carboxyacetyl)-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
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