skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > (2s,3s,4s,5r)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-sulfooxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > (2s,3s,4s,5r)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-sulfooxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > (2s,3s,4s,5r)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-sulfooxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

(2s,3s,4s,5r)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-sulfooxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O16S

inchi

  • InChI=1S/C21H18O16S/c22-7-4-10-12(11(5-7)35-21-16(28)14(26)15(27)19(36-21)20(29)30)13(25)18(37-38(31,32)33)17(34-10)6-1-2-8(23)9(24)3-6/h1-5,14-16,19,21-24,26-28H,(H,29,30)(H,31,32,33)

inchikey

  • MUNIKFQDCPCQCR-UHFFFAOYSA-N

mass

  • 558.420

monoisotopicmass

  • 558.03156

smiles

  • S(OC=1C(=O)C=2C(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(O)=CC2OC1C4=CC(O)=C(O)C=C4)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-sulooxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230654

Download this concept:

RDF/XML TURTLE JSON-LD