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CHEBI:61283 - baicalin(1−)

ChEBI IDCHEBI:61283
ChEBI Namebaicalin(1−)
Stars
ASCII Namebaicalin(1-)
DefinitionThe carbohydrate acid derivative anion that is the conjugate base of baicalin.
Last Modified4 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H17O11
Net Charge-1
Average Mass445.356
Monoisotopic Mass445.07763
SMILESO=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/p-1/t16-,17-,18+,19-,21+/m0/s1
InChIKeyIKIIZLYTISPENI-ZFORQUDYSA-M
ChEBI Ontology
Outgoing Relation(s)
baicalin(1−) (CHEBI:61283) is a carbohydrate acid derivative anion (CHEBI:63551)
baicalin(1−) (CHEBI:61283) is a monocarboxylic acid anion (CHEBI:35757)
baicalin(1−) (CHEBI:61283) is conjugate base of baicalin (CHEBI:2981)
Incoming Relation(s)
baicalin (CHEBI:2981) is conjugate acid of baicalin(1−) (CHEBI:61283)
IUPAC Name 
5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl β-D-glucopyranosiduronate
Synonyms  Source
baicalein 7-O-β-D-glucuronateChEBI
5,6,7-trihydroxyflavone 7-O-β-D-glucuronateChEBI
5,6,7-trihydroxyflavone-7-O-β-D-glucuronateJCBN
UniProt Name  Source
baicalinUniProt
Manual XrefsDatabases
CPD-12725MetaCyc
Citations