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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 > 11-epi-chaetomugilin i
... > 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 > 11-epi-chaetomugilin i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 11-epi-chaetomugilin i

Preferred term

11-epi-chaetomugilin i  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27ClO5

inchi

  • InChI=1S/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14+,18-,22-/m0/s1

inchikey

  • BYFBAJVBSPNIFS-FLPRNSHASA-N

mass

  • 406.900

monoisotopicmass

  • 406.15470

smiles

  • ClC1=C2C(=COC(=C2)/C=C/[C@@H]([C@H](O)C)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-3-[(E,3S,4R)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8-[(E)-3-methyl-2-oxopent-3-enyl]-8H-isochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203880

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