Chem
J-GLOBAL ID：200907070983304735   Nikkaji number：J813.562B

(1S)-5α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α,2α,3β,4β-tetrahydroxycyclohexane-1-carboxylic acid

(1S)-5α-[[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]-1α,2α,3β,4β-テトラヒドロキシシクロヘキサン-1-カルボン酸
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： C16H18O10
Molecular formula furigana： C16-H18-O10
Molecular weight： 370.310
InChI： InChI=1S/C16H18O10/c17-8-3-1-7(5-9(8)18)2-4-11(19)26-10-6-16(25,15(23)24)14(22)13(21)12(10)20/h1-5,10,12-14,17-18,20-22,25H,6H2,(H,23,24)/t10-,12+,13+,14-,16+/m1/s1
InChI key： IKEKJTKEYPZOMF-QUZFFSQCSA-N
SMILES： O[C@H]1[C@@H](C[C@](O)([C@H](O)[C@H]1O)C(=O)O)OC(=O)C=Cc1ccc(O)c(O)c1
Systematic name  (3)：
  • (1S)-5α-[[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]-1α,2α,3β,4β-テトラヒドロキシシクロヘキサン-1-カルボン酸
  • (1S,2R,3S,4R,5R)-5-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-1,2,3,4-テトラヒドロキシシクロヘキサン-1-カルボン酸
  • (1S,2R,3S,4R,5R)-5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,2,3,4-tetrahydroxycyclohexane-1-carboxylic acid
Other name (1)：
  • (1S)-5α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α,2α,3β,4β-tetrahydroxycyclohexane-1-carboxylic acid
Thsaurus map：
Thesaurus Map

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