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CHEBI:75030 - malvin

ChEBI IDCHEBI:75030
ChEBI Namemalvin
Stars
DefinitionAn anthocyanin cation that is malvidin carrying two β-D-glucosyl residues at positions 3 and 5.
Secondary ChEBI IDCHEBI:6675
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H35O17
Net Charge+1
Average Mass655.582
Monoisotopic Mass655.18688
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1
InChIKeyCILLXFBAACIQNS-BTXJZROQSA-O
Wikipedia
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
ChEBI Ontology
Outgoing Relation(s)
malvin (CHEBI:75030) has functional parent malvidin (CHEBI:6674)
malvin (CHEBI:75030) has role biological pigment (CHEBI:26130)
malvin (CHEBI:75030) has role metabolite (CHEBI:25212)
malvin (CHEBI:75030) is a anthocyanin cation (CHEBI:35218)
malvin (CHEBI:75030) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl β-D-glucopyranoside
Synonyms  Source
Malvidin-3,5-diglucosideHMDB
MalvosideHMDB
Manual XrefsDatabases
C08718KEGG COMPOUND
HMDB0038009HMDB
MalvinWikipedia
C00002384KNApSAcK
Registry NumbersSources
Reaxys:1678476Reaxys
CAS:16727-30-3KEGG COMPOUND
CAS:16727-30-3HMDB
Citations