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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > isocoumarins > 6,6′,9′-trinor-bipenicilisorin
... > organooxygen compound > ester > lactone > delta-lactone > isocoumarins > 6,6′,9′-trinor-bipenicilisorin
... > organooxygen compound > oxacycle > lactone > delta-lactone > isocoumarins > 6,6′,9′-trinor-bipenicilisorin
... > organooxygen compound > oxacycle > benzopyran > 2-benzopyran > isochromenes > isocoumarins > 6,6′,9′-trinor-bipenicilisorin

Preferred term

6,6′,9′-trinor-bipenicilisorin  

Type

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

Broader concept

charge

  • 0

formula

  • C21H12O12

inchi

  • InChI=1S/C21H12O12/c1-31-19(28)11-5-7-3-9(23)15(17(25)13(7)21(30)33-11)14-8(22)2-6-4-10(18(26)27)32-20(29)12(6)16(14)24/h2-5,22-25H,1H3,(H,26,27)

inchikey

  • CMWOSNSYDRYJOE-UHFFFAOYSA-N

mass

  • 456.315

monoisotopicmass

  • 456.03288

smiles

  • O=C1OC(C(=O)OC)=CC=2C1=C(O)C(C3=C(O)C=4C(=O)OC(C(=O)O)=CC4C=C3O)=C(O)C2

subset

  • 2_STAR

synonym EXACT

  • 7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215029

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