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CHEBI:147414 - malvidin 3-glucoside-4-vinylsyringol

ChEBI IDCHEBI:147414
ChEBI Namemalvidin 3-glucoside-4-vinylsyringol
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Submittermwilliams
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FormulaC33H33O15
Net Charge+1
Average Mass669.612
Monoisotopic Mass669.18140
SMILESCOc1cc(-c2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)C(O)C4O)c(-c4cc(OC)c(O)c(OC)c4)oc4cc(=[OH+])cc(o2)c43)cc(OC)c1O
InChIInChI=1S/C33H32O15/c1-41-20-5-13(6-21(42-2)26(20)36)17-11-16-25-18(45-17)9-15(35)10-19(25)46-31(14-7-22(43-3)27(37)23(8-14)44-4)32(16)48-33-30(40)29(39)28(38)24(12-34)47-33/h5-11,24,28-30,33-34,36-40H,12H2,1-4H3/p+1/t24-,28-,29?,30?,33+/m1/s1
InChIKeyVXMOAIJKHIEAAH-RWUOGCFOSA-O
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (22662221)
ChEBI Ontology
Outgoing Relation(s)
malvidin 3-glucoside-4-vinylsyringol (CHEBI:147414) is a anthocyanin (CHEBI:38697)