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Concept information

organooxygen compound > oxacycle > benzofurans > 2-benzofurans > 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-benzofurans > 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-benzofurans > 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid

Preferred term

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H20O6

inchi

  • InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)

inchikey

  • HPNSFSBZBAHARI-UHFFFAOYSA-N

mass

  • 320.338

monoisotopicmass

  • 320.12599

smiles

  • CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92545

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