CHEBI:75030 - malvin

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ChEBI Name malvin
ChEBI ID CHEBI:75030
Definition An anthocyanin cation that is malvidin carrying two β-D-glucosyl residues at positions 3 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:6675
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Formula C29H35O17
Net Charge +1
Average Mass 655.57800
Monoisotopic Mass 655.187
InChI InChI=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
InChIKey CILLXFBAACIQNS-BTXJZROQSA-O
SMILES COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
malvin (CHEBI:75030) is a anthocyanin cation (CHEBI:35218)
IUPAC Name
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl β-D-glucopyranoside
Synonyms Sources
Malvidin-3,5-diglucoside HMDB
Malvoside HMDB
Manual Xrefs Databases
C00002384 KNApSAcK
C08718 KEGG COMPOUND
HMDB0038009 HMDB
Malvin Wikipedia
View more database links
Registry Numbers Types Sources
16727-30-3 CAS Registry Number KEGG COMPOUND
16727-30-3 CAS Registry Number HMDB
1678476 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11087514 PubMed citation Europe PMC
15708519 PubMed citation Europe PMC
IND21634962 Agricola citation Europe PMC
IND21634965 Agricola citation Europe PMC
IND21634968 Agricola citation Europe PMC
IND44599805 Agricola citation Europe PMC
Last Modified
28 July 2014