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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 4-o-demethylbarbatate
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-o-demethylbarbatate

Preferred term

4-o-demethylbarbatate  

Type

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

Broader concept

charge

  • -1

formula

  • C18H17O7

has_role

inchi

  • InChI=1S/C18H18O7/c1-7-5-11(19)9(3)15(20)14(7)18(24)25-12-6-8(2)13(17(22)23)16(21)10(12)4/h5-6,19-21H,1-4H3,(H,22,23)/p-1

inchikey

  • COUKTHZXLGYKPK-UHFFFAOYSA-M

mass

  • 345.328

monoisotopicmass

  • 345.09798

smiles

  • CC1=CC(=C(C)C(=C1C(=O)OC=2C=C(C)C(=C(C2C)O)C(=O)[O-])O)O

subset

  • 2_STAR

synonym EXACT

  • 4-O-demethylbarbatate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192547

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