CHEBI:131449 - cyanidin 3-O-(6-O-acetyl-β-D-glucoside)

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ChEBI Name cyanidin 3-O-(6-O-acetyl-β-D-glucoside)
ChEBI ID CHEBI:131449
ChEBI ASCII Name cyanidin 3-O-(6-O-acetyl-beta-D-glucoside)
Definition An anthocyanin cation consisting of cyanidin having a 6-O-acetyl-β-D-glucosyl residue attached at the 3-hydroxy position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:90245
Supplier Information
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Formula C23H23O12
Net Charge +1
Average Mass 491.422
Monoisotopic Mass 491.11840
InChI InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1
InChIKey HBXXDBKJLPLXPR-ZFVIQDPVSA-O
SMILES OC=1C=C(O)C=C2C1C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(C)=O)O)O)O)C(=[O+]2)C4=CC=C(O)C(=C4)O
Metabolite of Species Details
Phyllanthus niruri (NCBI:txid296034) See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) See: PubMed
Vitis vinifera (NCBI:txid29760) See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) See: DOI
Vitis vinifera (NCBI:txid29760) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) has role plant metabolite (CHEBI:76924)
cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) is a acetate ester (CHEBI:47622)
cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:131449) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-acetyl-β-D-glucopyranoside
Synonyms Sources
Cyanidin 3-(6''-acetylglucoside) KNApSAcK
Cyanidin 3-(6''-acetylglucoside) LIPID MAPS
cyanidin 3-O-(6''-acetylglucoside) HMDB
Manual Xrefs Databases
C00006793 KNApSAcK
LMPK12010132 LIPID MAPS
View more database links
Registry Numbers Types Sources
133080-31-6 CAS Registry Number KNApSAcK
9601842 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20826702 PubMed citation Europe PMC
23759170 PubMed citation Europe PMC
Last Modified
29 March 2018