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(Q105123047)
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English
1,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₅H₂₄O₁₂
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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
516.126776208
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₄O₁₂
0 references
canonical SMILES
O=C(OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1O)C=CC3=CC=C(O)C(O)=C3
0 references
found in taxon
Annona muricata
1 reference
stated in
Identification of phenolic compounds in soursop (Annona muricata) pulp by high-performance liquid chromatography with diode array and electrospray ionization mass spectrometric detection
Foeniculum vulgare
1 reference
stated in
Separation and characterization of phenolic compounds in fennel (Foeniculum vulgare) using liquid chromatography-negative electrospray ionization tandem mass spectrometry.
Artemisia annua
1 reference
stated in
Artemisia annua L.: Essential oil and acetone extract composition and antioxidant capacity
broad bean
1 reference
stated in
Profiling of phenolic compounds and antioxidant properties of European varieties and cultivars of Vicia faba L. pods
Morus alba
1 reference
stated in
Characterization of the polyphenolic fraction of Morus alba leaves extracts by HPLC coupled to a hybrid IT-TOF MS system
Prunus avium
1 reference
stated in
Postharvest changes in primary and secondary metabolites of sweet cherry cultivars induced by Monilinia laxa
Helichrysum italicum
1 reference
stated in
Dicaffeolyquinic acids from Helichrysum italicum and Achillea cartilaginea
Identifiers
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)
0 references
InChIKey
IYXQRCXQQWUFQV-UHFFFAOYSA-N
0 references
PubChem CID
14446
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYXQRCXQQWUFQV-UHFFFAOYSA-N
UniChem compound ID
872912
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0250259
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYXQRCXQQWUFQV-UHFFFAOYSA-N
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