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(Q105152221)
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English
2-[(3,4-Dihydroxyphenyl)methyl]-2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]butanedioic acid
group of stereoisomers with the chemical formula C₂₁H₂₀O₁₁
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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
448.1005614599997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₁₁
0 references
canonical SMILES
O=C(OC(C(=O)O)C(O)(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C(OC)=C2
0 references
found in taxon
Actaea racemosa
1 reference
stated in
Analysis of formononetin from black cohosh (Actaea racemosa).
Actaea dahurica
1 reference
stated in
Hyaluronidase inhibitors from "Cimicifugae Rhizoma" (a mixture of the rhizomes of Cimicifuga dahurica and C. heracleifolia).
Identifiers
InChI
InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)
0 references
InChIKey
LIJMMUDJSMCVDJ-UHFFFAOYSA-N
0 references
PubChem CID
78410702
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LIJMMUDJSMCVDJ-UHFFFAOYSA-N
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