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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroisorotiorin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroisorotiorin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroisorotiorin

Preferred term

5-chloroisorotiorin  

Type

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

Broader concept

charge

  • 0

formula

  • C23H23ClO5

inchi

  • InChI=1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23+/m0/s1

inchikey

  • QJSWSNAZIVGTFZ-UNSJDTSZSA-N

mass

  • 414.880

monoisotopicmass

  • 414.12340

smiles

  • ClC1=C2C(C3=C(C(=O)C)C(O[C@]3(C1=O)C)=O)=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C

subset

  • 2_STAR

synonym EXACT

  • (6aR)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyluro[2,3-h]isochromene-6,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210232

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