Chem
J-GLOBAL ID:200907066350332325
Nikkaji number:J899.639C
3-(4-Hydroxy-3-methoxyphenyl)propenoyl β-D-glucopyranosiduronic acid
3-(4-ヒドロキシ-3-メトキシフェニル)プロペノイルβ-D-グルコピラノシドウロン酸
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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:
C16 H18 O10
Molecular formula furigana:
C16-H18-O10
Molecular weight:
370.310
InChI:
InChI=1S/C16H18O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
InChI key:
QJPVKEBTJJKZFP-JHZZJYKESA-N
SMILES:
COc1cc(C=CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)ccc1O
Systematic name (3):
3-(4-ヒドロキシ-3-メトキシフェニル)プロペノイルβ-D-グルコピラノシドウロン酸
(2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}オキサン-2-カルボン酸
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
Other name (1):
3-(4-Hydroxy-3-methoxyphenyl)propenoyl β-D-glucopyranosiduronic acid
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