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(Q110204484)
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English
Peonidin-3-O-alpha-arabinopyranoside
group of stereoisomers with the chemical formula C₂₁H₂₁O₁₀⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
433.11292329209
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₁O₁₀⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C(O)C=2C=C(OC3OCC(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(O)=C(OC)C4
0 references
found in taxon
Vaccinium corymbosum
1 reference
stated in
Anthocyanins in blue berries of Vaccinium padifolium
Vaccinium macrocarpon
1 reference
stated in
Anthocyanins in blue berries of Vaccinium padifolium
Identifiers
InChI
InChI=1S/C21H20O10/c1-28-16-4-9(2-3-12(16)23)20-17(31-21-19(27)18(26)14(25)8-29-21)7-11-13(24)5-10(22)6-15(11)30-20/h2-7,14,18-19,21,25-27H,8H2,1H3,(H2-,22,23,24)/p+1
0 references
InChIKey
KRUPPTWQKIEURV-UHFFFAOYSA-O
0 references
PubChem CID
74315894
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KRUPPTWQKIEURV-UHFFFAOYSA-O
UniChem compound ID
77275418
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR100453
1 reference
InChIKey
KRUPPTWQKIEURV-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100911
1 reference
InChIKey
KRUPPTWQKIEURV-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID701345911
1 reference
matched by identifier from
InChIKey
InChIKey
KRUPPTWQKIEURV-UHFFFAOYSA-O
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