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(Q105137971)
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English
[1,2,5-Trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-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=CC(O)C(OC1OC(C)C(O)C(O)C1O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)CO
0 references
found in taxon
Acanthus
1 reference
stated in
Phenylethanoid and aliphatic alcohol glycosides from Acanthus ilicifolius
Scrophularia
1 reference
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Identifiers
InChI
InChI=1S/C21H28O13/c1-9-16(29)17(30)18(31)21(32-9)34-20(14(27)8-23)19(13(26)7-22)33-15(28)5-3-10-2-4-11(24)12(25)6-10/h2-6,8-9,13-14,16-22,24-27,29-31H,7H2,1H3
0 references
InChIKey
KARNWFDIYRKBOE-UHFFFAOYSA-N
0 references
PubChem CID
137796530
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KARNWFDIYRKBOE-UHFFFAOYSA-N
UniChem compound ID
169224029
1 reference
stated in
UniChem
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