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(Q105300724)
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English
2-Hydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]-2-[(4-hydroxyphenyl)methyl]butanedioic acid
group of stereoisomers with the chemical formula C₂₁H₂₀O₁₀
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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
432.10564683999974
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₁₀
0 references
canonical SMILES
O=C(OC(C(=O)O)C(O)(C(=O)O)CC1=CC=C(O)C=C1)C=CC2=CC=C(OC)C(O)=C2
0 references
found in taxon
Actaea racemosa
1 reference
stated in
Analysis of formononetin from black cohosh (Actaea racemosa).
Identifiers
InChI
InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)
0 references
InChIKey
WBGMKAAMRFEBHK-UHFFFAOYSA-N
0 references
PubChem CID
78410759
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WBGMKAAMRFEBHK-UHFFFAOYSA-N
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