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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > 6-[3-(3-/{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy/}-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-2-yl)phenoxy]-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 > 6-[3-(3-/{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy/}-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-2-yl)phenoxy]-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 > 6-[3-(3-/{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy/}-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-[3-(3-/{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy/}-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H28O16

inchi

  • InChI=1S/C26H28O16/c27-7-13-15(30)19(34)26(40-13)41-22-16(31)14-11(29)5-9(28)6-12(14)39-21(22)8-2-1-3-10(4-8)38-25-20(35)17(32)18(33)23(42-25)24(36)37/h1-6,13,15,17-23,25-30,32-35H,7H2,(H,36,37)

inchikey

  • AHFZKPLQLIPVDO-UHFFFAOYSA-N

mass

  • 596.494

monoisotopicmass

  • 596.13773

smiles

  • O1C(OC2C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC=C4)C(O)C(O)C1CO

subset

  • 2_STAR

synonym EXACT

  • 6-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190891

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