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(Q105111569)
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English
[5,6-Dihydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₈O₁₃
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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
488.152990956
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₁₃
0 references
canonical SMILES
O=C(OC1C(OC(O)C(O)C1OC2OC(C)C(O)C(O)C2O)CO)C=CC3=CC=C(O)C(O)=C3
0 references
found in taxon
Marrubium velutinum
1 reference
stated in
Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum
Identifiers
InChI
InChI=1S/C21H28O13/c1-8-14(26)15(27)16(28)21(31-8)34-19-17(29)20(30)32-12(7-22)18(19)33-13(25)5-3-9-2-4-10(23)11(24)6-9/h2-6,8,12,14-24,26-30H,7H2,1H3
0 references
InChIKey
IDVRYIVYDAOHSS-UHFFFAOYSA-N
0 references
PubChem CID
73816060
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IDVRYIVYDAOHSS-UHFFFAOYSA-N
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