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CHEBI:80425 - Cyanidin 3-O-3'',6''-O-dimalonylglucoside

ChEBI IDCHEBI:80425
ChEBI NameCyanidin 3-O-3'',6''-O-dimalonylglucoside
Stars
DownloadsMolfile
FormulaC27H25O17
Net Charge+1
Average Mass621.480
Monoisotopic Mass621.10863
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](OC(=O)CC(=O)O)[C@@H]1O
InChIInChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1
InChIKeyCXGHPQSURHQOBH-MQWSOPDOSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-O-3'',6''-O-dimalonylglucoside (CHEBI:80425) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16289KEGG COMPOUND
HMDB0030096HMDB