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CHEBI:80426 - Delphinidin 3-O-3'',6''-O-dimalonylglucoside

Default Structure
ChEBI IDCHEBI:80426
ChEBI NameDelphinidin 3-O-3'',6''-O-dimalonylglucoside
Stars
DownloadsMolfile
FormulaC27H25O18
Net Charge+1
Average Mass637.479
Monoisotopic Mass637.10354
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](OC(=O)CC(=O)O)[C@@H]1O
InChIInChI=1S/C27H24O18/c28-10-3-12(29)11-5-16(25(42-15(11)4-10)9-1-13(30)22(38)14(31)2-9)43-27-24(40)26(45-21(37)7-19(34)35)23(39)17(44-27)8-41-20(36)6-18(32)33/h1-5,17,23-24,26-27,39-40H,6-8H2,(H6-,28,29,30,31,32,33,34,35,38)/p+1/t17-,23-,24-,26+,27-/m1/s1
InChIKeyVXCZGIIAIJXTMN-WETICWMGSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-O-3'',6''-O-dimalonylglucoside (CHEBI:80426) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16290KEGG COMPOUND