CHEBI:80433 - Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)

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ChEBI Name Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)
ChEBI ID CHEBI:80433
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H27O13
Net Charge +1
Average Mass 595.52760
Monoisotopic Mass 595.14462
InChI InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChIKey OUWGZZOPFVOIFO-SHPGVJHPSA-O
SMILES O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) (CHEBI:80433) is a anthocyanidin glycoside (CHEBI:71583)
Manual Xref Database
C16297 KEGG COMPOUND
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