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CHEBI:75030 - malvin

Default Structure
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:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
C00002384KNApSAcK
C08718KEGG COMPOUND
HMDB0038009HMDB
MalvinWikipedia
Registry NumbersSources
Reaxys:1678476Reaxys
CAS:16727-30-3KEGG COMPOUND
CAS:16727-30-3HMDB
Citations