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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > malbranpyrrole e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > malbranpyrrole e

Preferred term

malbranpyrrole e  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22ClNO3

inchi

  • InChI=1S/C20H22ClNO3/c1-6-20(3,4)18-17(24-5)12-16(25-19(18)23)13(2)8-7-9-15-14(21)10-11-22-15/h6-12,22H,1H2,2-5H3/b9-7+,13-8+

inchikey

  • KMCWFIGQAAUEOM-AVPQAVFTSA-N

mass

  • 359.850

monoisotopicmass

  • 359.12882

smiles

  • ClC1=C(NC=C1)/C=C/C=C(/C=2OC(=O)C(C(C=C)(C)C)=C(C2)OC)/C

subset

  • 2_STAR

synonym EXACT

  • 6-[(2E,4E)-5-(3-chloro-1H-pyrrol-2-yl)penta-2,4-dien-2-yl]-4-methoxy-3-(2-methylbut-3-en-2-yl)pyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207182

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