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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 > chaetomugilin j
... > 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 > chaetomugilin j
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > chaetomugilin j

Preferred term

chaetomugilin j  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27ClO4

inchi

  • InChI=1S/C22H27ClO4/c1-6-13(3)8-9-15-10-16-17(12-27-15)18(11-19(24)14(4)7-2)22(5,26)21(25)20(16)23/h7-10,12-13,18,26H,6,11H2,1-5H3/b9-8+,14-7+/t13-,18-,22-/m0/s1

inchikey

  • DIBDMIBWFDRKHK-ODXBHRCKSA-N

mass

  • 390.900

monoisotopicmass

  • 390.15979

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (7S,8S)-5-chloro-7-hydroxy-7-methyl-8-[(E)-3-methyl-2-oxopent-3-enyl]-3-[(E,3S)-3-methylpent-1-enyl]-8H-isochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202949

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