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(Q105176009)
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English
2-[3-[4-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
group of stereoisomers with the chemical formula C₂₇H₂₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
538.1111261439997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₂₂O₁₂
0 references
canonical SMILES
O=C(O)C(OC1=CC=C(C=CC(=O)OC(C(=O)O)CC2=CC=C(O)C(O)=C2)C=C1O)=CC3=CC=C(O)C(O)=C3
0 references
found in taxon
Salvia miltiorrhiza
2 references
stated in
Polyphenolics of Salvia--a review
stated in
Sagecoumarin, a novel caffeic acid trimer from Salvia officinalis
Salvia cavaleriei
1 reference
stated in
Sagecoumarin, a novel caffeic acid trimer from Salvia officinalis
Identifiers
InChI
InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)
0 references
InChIKey
MZSGWZGPESCJAN-UHFFFAOYSA-N
0 references
PubChem CID
85148929
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MZSGWZGPESCJAN-UHFFFAOYSA-N
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