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CHEBI:192513 - 3'-dehydrocarminate(2−)

ChEBI IDCHEBI:192513
ChEBI Name3'-dehydrocarminate(2−)
Stars
ASCII Name3'-dehydrocarminate(2-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H16O13
Net Charge-2
Average Mass488.357
Monoisotopic Mass488.06019
SMILESCc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@@H](O)C(=O)[C@H]3O)c([O-])c(O)c1C2=O
InChIInChI=1S/C22H18O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,20-21,23-24,26,28-30,32H,3H2,1H3,(H,33,34)/p-2/t7-,14-,20-,21+/m1/s1
InChIKeyDZLXWZXWMQZUAN-NDYUPKPWSA-L
ChEBI Ontology
Outgoing Relation(s)
3'-dehydrocarminate(2−) (CHEBI:192513) is a monocarboxylic acid anion (CHEBI:35757)
3'-dehydrocarminate(2−) (CHEBI:192513) is a phenolate anion (CHEBI:50525)
UniProt Name  Source
3'-dehydrocarminateUniProt
Citations