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CHEBI:147428 - malvidin 3-glucoside-4-vinylphenol

ChEBI IDCHEBI:147428
ChEBI Namemalvidin 3-glucoside-4-vinylphenol
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Submittermwilliams
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FormulaC31H29O13
Net Charge+1
Average Mass609.560
Monoisotopic Mass609.16027
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(O)cc5)cc(c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c43)cc(OC)c1O
InChIInChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-33,35-38H,12H2,1-2H3/p+1/t23?,26-,27+,28?,31+/m1/s1
InChIKeyIIRCLVLDFBBWNG-FWXOTTMISA-O
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (22662221)
ChEBI Ontology
Outgoing Relation(s)
malvidin 3-glucoside-4-vinylphenol (CHEBI:147428) is a anthocyanin (CHEBI:38697)
Manual XrefsDatabases
LMPK12010435LIPID MAPS