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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 > 3,4,5-trihydroxy-6-/{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy/}oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > 3,4,5-trihydroxy-6-/{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > 3,4,5-trihydroxy-6-/{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy/}oxane-2-carboxylic acid

Preferred term

3,4,5-trihydroxy-6-/{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy/}oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O10

inchi

  • InChI=1S/C21H22O10/c22-11-3-1-2-10(6-11)18-13(23)7-9-4-5-12(8-14(9)30-18)29-21-17(26)15(24)16(25)19(31-21)20(27)28/h1-6,8,13,15-19,21-26H,7H2,(H,27,28)

inchikey

  • RXFNQSPRQDTYGI-UHFFFAOYSA-N

mass

  • 434.397

monoisotopicmass

  • 434.12130

smiles

  • O1C(OC2=CC=3OC(C(O)CC3C=C2)C4=CC(O)=CC=C4)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188391

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