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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > baicalin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > baicalin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > baicalin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosyloxyflavone > baicalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > glycosyloxyflavone > baicalin

Preferred term

baicalin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H18O11

has_functional_parent

has_role

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)/t16-,17-,18+,19-,21+/m0/s1

inchikey

  • IKIIZLYTISPENI-ZFORQUDYSA-N

is_conjugate_acid_of

mass

  • 446.364

monoisotopicmass

  • 446.08491

smiles

  • O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
  • Baicalin

synonym RELATED

  • 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide
  • 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
  • 7-D-glucuronic acid-5,6-dihydroxyflavone
  • baicalein 7-glucuronide
  • baicalein 7-O-glucuronide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2981

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