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Concept information

Preferred term

4 (3, dihydro 2H 1,5 benzodioxepin 7 yl) oxobutanoic اسید  

Type

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

Broader concept

charge

  • 0

formula

  • C13H14O5

inchi

  • InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16)

inchikey

  • RQYNFIARXFWNDM-UHFFFAOYSA-N

mass

  • 250.250

monoisotopicmass

  • 250.08412

smiles

  • O1CCCOC2=C1C=C(C(=O)CCC(O)=O)C=C2

subset

  • 2_STAR

synonym EXACT

  • 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228725

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