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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-(6-hydroxy-7-methoxy-2h-1,3-benzodioxol-5-yl)propanoyl]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-(6-hydroxy-7-methoxy-2h-1,3-benzodioxol-5-yl)propanoyl]oxy/}oxane-2-carboxylic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C17H20O12

inchi

  • InChI=1S/C17H20O12/c1-25-14-9(19)6(4-7-13(14)27-5-26-7)2-3-8(18)28-17-12(22)10(20)11(21)15(29-17)16(23)24/h4,10-12,15,17,19-22H,2-3,5H2,1H3,(H,23,24)

inchikey

  • VEHJOCXLSTUVKM-UHFFFAOYSA-N

mass

  • 416.335

monoisotopicmass

  • 416.09548

smiles

  • O1C(C(O)C(O)C(O)C1OC(=O)CCC=2C(O)=C(OC)C=3OCOC3C2)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[3-(6-hydroxy-7-methoxy-1,3-benzodioxol-5-yl)propanoyloxy]oxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184826

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