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

Preferred term

chaetomugilin p  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27ClO5

inchi

  • InChI=1S/C22H27ClO5/c1-6-19(23)21(26)22(5,27)18-10-20(25)13(3)16-9-15(28-11-17(16)18)8-7-12(2)14(4)24/h6-9,11-12,14,18,24,27H,10H2,1-5H3/b8-7+,19-6-/t12-,14-,18+,22+/m1/s1

inchikey

  • KLMQRLLJGPIKJE-NCZDROTISA-N

mass

  • 406.900

monoisotopicmass

  • 406.15470

smiles

  • Cl/C(/C(=O)[C@@](O)([C@@H]1C=2C(=C(C)C(C1)=O)C=C(/C=C/[C@H]([C@H](O)C)C)OC2)C)=C/C

subset

  • 2_STAR

synonym EXACT

  • (8S)-8-[(Z,2S)-4-chloro-2-hydroxy-3-oxohex-4-en-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-5-methyl-7,8-dihydroisochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211058

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