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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 > isochromophilone viii
... > 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 > isochromophilone viii
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > isochromophilone viii

Preferred term

isochromophilone viii  

Type

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

Broader concept

charge

  • 0

formula

  • C21H27ClO5

inchi

  • InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20-,21+/m1/s1

inchikey

  • MMOJJYPBNVVCGY-LYLCUPBQSA-N

mass

  • 394.890

monoisotopicmass

  • 394.15470

smiles

  • ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@H]2C1C=C(OC2)/C=C/C(=C/C(CC)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • [(7R,8R,8aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203062

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