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(Q105005585)
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English
(3R)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
360.084517472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₆O₈
0 references
canonical SMILES
O=C(OC(C1=CC=C(O)C(O)=C1)CC(=O)O)C=CC2=CC=C(O)C(O)=C2
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isomeric SMILES
O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
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found in taxon
Nepeta caesarea
1 reference
stated in
Constituents of Nepeta caesarea
Perilla frutescens
1 reference
stated in
Two Jasmonoid Glucosides and a Phenylvaleric Acid Glucoside fromPerilla frutescens
Thymus bashkiriensis
1 reference
stated in
Components of the epigeal part of Thymus bashkiriensis
Identifiers
InChI
InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)2-6-18(25)26-16(9-17(23)24)11-3-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,23,24)/b6-2+/t16-/m1/s1
0 references
InChIKey
GAQXTAWZNDSRDE-BAXHPOPBSA-N
0 references
PubChem CID
163185213
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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