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English
1-o-Caffeoylglucose
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
isomeric SMILES
O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Prunus domestica
1 reference
stated in
LC/MS/MS characterization of phenolic constituents in dried plums
Punica granatum
1 reference
stated in
Identification and quantification of phenolic compounds from pomegranate (Punica granatum L.) peel, mesocarp, aril and differently produced juices by HPLC-DAD-ESI/MS(n)
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/b4-2+
0 references
InChIKey
WQSDYZZEIBAPIN-DUXPYHPUSA-N
0 references
PubChem CID
6124135
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WQSDYZZEIBAPIN-DUXPYHPUSA-N
ChEBI ID
167992
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
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/b4-2+
UniChem compound ID
32009420
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036937
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WQSDYZZEIBAPIN-DUXPYHPUSA-N
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