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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3,4,5-trihydroxy-6-/{[(3e)-4-(1-oxo-1h-isochromen-3-yl)but-3-en-1-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3,4,5-trihydroxy-6-/{[(3e)-4-(1-oxo-1h-isochromen-3-yl)but-3-en-1-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 > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3,4,5-trihydroxy-6-/{[(3e)-4-(1-oxo-1h-isochromen-3-yl)but-3-en-1-yl]oxy/}oxane-2-carboxylic acid

Preferred term

3,4,5-trihydroxy-6-/{[(3e)-4-(1-oxo-1h-isochromen-3-yl)but-3-en-1-yl]oxy/}oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C19H20O9

inchi

  • InChI=1S/C19H20O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-4-3-6-11-9-10-5-1-2-7-12(10)18(25)27-11/h1-3,5-7,9,13-16,19-22H,4,8H2,(H,23,24)/b6-3+

inchikey

  • MUGSXTQKMYNILA-ZZXKWVIFSA-N

mass

  • 392.360

monoisotopicmass

  • 392.11073

smiles

  • O1C(OCC/C=C/C=2OC(=O)C=3C(C2)=CC=CC3)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[(E)-4-(1-oxoisochromen-3-yl)but-3-enoxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193259

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