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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > isocoumarins > 3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > isocoumarins > 3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one
... > organooxygen compound > ester > lactone > delta-lactone > isocoumarins > 3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one
... > organooxygen compound > oxacycle > lactone > delta-lactone > isocoumarins > 3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one
... > organooxygen compound > oxacycle > benzopyran > 2-benzopyran > isochromenes > isocoumarins > 3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one

Preferred term

3-(1,2,4-trihydroxybutyl)-1h-isochromen-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C13H14O5

inchi

  • InChI=1S/C13H14O5/c14-6-5-10(15)12(16)11-7-8-3-1-2-4-9(8)13(17)18-11/h1-4,7,10,12,14-16H,5-6H2

inchikey

  • CKSDGJUQTUSXKR-UHFFFAOYSA-N

mass

  • 250.250

monoisotopicmass

  • 250.08412

smiles

  • O1C(C(O)C(O)CCO)=CC=2C(C1=O)=CC=CC2

subset

  • 2_STAR

synonym EXACT

  • 3-(1,2,4-trihydroxybutyl)isochromen-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168490

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