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(Q104955834)
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English
[2-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₈O₁₁
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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
492.163161716
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈O₁₁
0 references
canonical SMILES
O=C(OC1C(OCCC2=CC=C(O)C(O)=C2)OC(CO)C(O)C1O)C=CC3=CC=C(O)C(OC)=C3
0 references
found in taxon
Bacopa monniera
1 reference
stated in
Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera
Identifiers
InChI
InChI=1S/C24H28O11/c1-32-18-11-13(3-6-16(18)27)4-7-20(29)35-23-22(31)21(30)19(12-25)34-24(23)33-9-8-14-2-5-15(26)17(28)10-14/h2-7,10-11,19,21-28,30-31H,8-9,12H2,1H3
0 references
InChIKey
CELUHKZRIDESEX-UHFFFAOYSA-N
0 references
PubChem CID
85403662
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CELUHKZRIDESEX-UHFFFAOYSA-N
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