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CHEBI:80424 - Pelargonidin 3-O-3'',6''-O-dimalonylglucoside

ChEBI IDCHEBI:80424
ChEBI NamePelargonidin 3-O-3'',6''-O-dimalonylglucoside
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DownloadsMolfile
FormulaC27H25O16
Net Charge+1
Average Mass605.481
Monoisotopic Mass605.11371
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](OC(=O)CC(=O)O)[C@@H]1O
InChIInChI=1S/C27H24O16/c28-12-3-1-11(2-4-12)25-17(7-14-15(30)5-13(29)6-16(14)40-25)41-27-24(38)26(43-22(36)9-20(33)34)23(37)18(42-27)10-39-21(35)8-19(31)32/h1-7,18,23-24,26-27,37-38H,8-10H2,(H4-,28,29,30,31,32,33,34)/p+1/t18-,23-,24-,26+,27-/m1/s1
InChIKeyFYXSNZOHHSEKPD-MQWSOPDOSA-O
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-O-3'',6''-O-dimalonylglucoside (CHEBI:80424) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16288KEGG COMPOUND