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(Q104200541)
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English
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₁₅H₁₈O₉
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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
342.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₉
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C=CC2=CC=C(O)C(O)=C2
0 references
found in taxon
Adenocaulon adhaerescens
1 reference
stated in
Phenolic compounds of Aruncus dioicus and Adenocaulon adhaerescens
Arabidopsis thaliana
1 reference
stated in
Tapetum-specific location of a cation-dependent O-methyltransferase in Arabidopsis thaliana
Brassica rapa
1 reference
stated in
Phytoalexins and polar metabolites from the oilseeds canola and rapeseed: differential metabolic responses to the biotroph Albugo candida and to abiotic stress
Morus alba
1 reference
stated in
The novel contributors of anti-diabetic potential in mulberry polyphenols revealed by UHPLC-HR-ESI-TOF-MS/MS.
Identifiers
InChI
InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2
0 references
InChIKey
WQSDYZZEIBAPIN-UHFFFAOYSA-N
0 references
PubChem CID
4484225
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WQSDYZZEIBAPIN-UHFFFAOYSA-N
UniChem compound ID
57313160
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309375
1 reference
InChIKey
WQSDYZZEIBAPIN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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