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CHEBI:147429 - malvidin 3-glucoside-4-vinylcatechol

ChEBI IDCHEBI:147429
ChEBI Namemalvidin 3-glucoside-4-vinylcatechol
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FormulaC31H29O14
Net Charge+1
Average Mass625.559
Monoisotopic Mass625.15518
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(O)c(O)c5)cc(c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c43)cc(OC)c1O
InChIInChI=1S/C31H28O14/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19/h3-10,23,26-28,31-32,34-39H,11H2,1-2H3/p+1/t23?,26-,27+,28?,31+/m1/s1
InChIKeyAVTUTJYTKKMVGB-FWXOTTMISA-O
ChEBI Ontology
Outgoing Relation(s)
malvidin 3-glucoside-4-vinylcatechol (CHEBI:147429) is a anthocyanin (CHEBI:38697)
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LMPK12010436LIPID MAPS