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 > 4'-o-methyl-(-)-epicatechin-5-o-beta-glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > 4'-o-methyl-(-)-epicatechin-5-o-beta-glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > 4'-o-methyl-(-)-epicatechin-5-o-beta-glucuronide

Preferred term

4'-o-methyl-(-)-epicatechin-5-o-beta-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H26O11

inchi

  • InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)25)20-14(26)8-12-15(32-20)6-11(24)7-16(12)33-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,14,17-21,23-29H,2,8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1

inchikey

  • MUYXNRKLXILZTM-QHZMYPFFSA-N

mass

  • 478.450

monoisotopicmass

  • 478.14751

smiles

  • O1[C@@H](OC=2C=3C[C@H](O)C(OC3C=C(O)C2)C4=CC(O)=C(C=C4)CC)C(O)[C@@H](O)[C@H](O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,6S)-6-[[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168684

Download this concept:

RDF/XML TURTLE JSON-LD