CHEBI:61283 - baicalin(1−)

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ChEBI Name baicalin(1−) ChEBI ID CHEBI:61283 ChEBI ASCII Name baicalin(1-) Definition The carbohydrate acid derivative anion that is the conjugate base of baicalin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H17O11 Net Charge -1 Average Mass 445.35310 Monoisotopic Mass 445.07763 InChI InChI=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 InChIKey IKIIZLYTISPENI-ZFORQUDYSA-M SMILES O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C([O-])=O)Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 ChEBI Ontology Outgoing 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 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 Sources 5,6,7-trihydroxyflavone 7-O-β-D-glucuronate ChEBI 5,6,7-trihydroxyflavone-7-O-β-D-glucuronate JCBN baicalein 7-O-β-D-glucuronate ChEBI baicalin UniProt Manual Xref Database CPD-12725 MetaCyc View more database links Citation Type Source 10724177 PubMed citation Europe PMC Last Modified 04 February 2013