Chem
J-GLOBAL ID：200907066858375860
Nikkaji number：J1.012.715G
4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
4-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-1,3,5-トリヒドロキシシクロヘキサン-1-カルボン酸
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： C16H18O9
Molecular formula furigana： C16-H18-O9
Molecular weight： 354.311
InChI：
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)
InChI key：
GYFFKZTYYAFCTR-UHFFFAOYSA-N
SMILES：
OC1CC(O)(CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name (3)：
- 4-[[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-1,3,5-トリヒドロキシシクロヘキサンカルボン酸
- 4-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-1,3,5-トリヒドロキシシクロヘキサン-1-カルボン酸
- 4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
- 4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
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