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(Q125028622)
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English
ethyl 3,4-dihydroxybenzoate
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
1 reference
based on heuristic
inferred from SMILES
mass
368.11073221999993
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-feruloylquinic acid
1 reference
based on heuristic
inferred from InChIKey
(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
3-O-feruloyl-D-quinic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₀O₉
0 references
canonical SMILES
O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C(OC)=C2
0 references
isomeric SMILES
COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O
0 references
found in taxon
Oenothera biennis
1 reference
stated in
Chemical Composition, Antioxidative and Anti-Inflammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation
Identifiers
InChI
InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/t11-,13-,15-,17+/m1/s1
0 references
InChIKey
RAGZUCNPTLULOL-MDRZDLKXSA-N
0 references
PubChem CID
123272964
2 references
stated in
PubChem
retrieved
26 April 2024
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RAGZUCNPTLULOL-MDRZDLKXSA-N
KNApSAcK ID
C00062126
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RAGZUCNPTLULOL-MDRZDLKXSA-N
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