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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > (-)-epigallocatechin 3'-glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > (-)-epigallocatechin 3'-glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > (-)-epigallocatechin 3'-glucuronide

Preferred term

(-)-epigallocatechin 3'-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O13

inchi

  • InChI=1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15+,16+,17-,18-,19+,21-/m1/s1

inchikey

  • CQDATFYRGVZXLF-ZVHNUXTDSA-N

mass

  • 482.394

monoisotopicmass

  • 482.10604

smiles

  • O1[C@@H](OC2=CC([C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)=CC(O)=C2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168245

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