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(Q110204427)
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English
Cyanidin 3-(3''-malonyl-glucoside)
group of stereoisomers with the chemical formula C₂₄H₂₃O₁₄⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
535.10823183609
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₃O₁₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)CC(=O)OC1C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)OC(CO)C1O
0 references
found in taxon
Allium victorialis
2 references
stated in
Malonated anthocyanins of garlic Allium sativum L.
stated in
Anthocyanins with an unusual acylation pattern from stem of Allium victorialis
Garlic (allium sativum)
1 reference
stated in
Anthocyanins with an unusual acylation pattern from stem of Allium victorialis
Identifiers
InChI
InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1
0 references
InChIKey
AWPCCUSBXWEBBS-UHFFFAOYSA-O
0 references
PubChem CID
74976939
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AWPCCUSBXWEBBS-UHFFFAOYSA-O
UniChem compound ID
32007801
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041409
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AWPCCUSBXWEBBS-UHFFFAOYSA-O
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