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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > icosanoid > prostanoid > clavulone > 7-acetoxy-7,8-dihydrochlorovulone ii

Preferred term

7-acetoxy-7,8-dihydrochlorovulone ii  

Type

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

Broader concept

charge

  • 0

formula

  • C23H33ClO6

inchi

  • InChI=1S/C23H33ClO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10+/t19-,21-,23+/m0/s1

inchikey

  • LAWSLZINBLIPFW-NRPCDHBGSA-N

mass

  • 440.960

monoisotopicmass

  • 440.19657

smiles

  • ClC1=C[C@@](O)([C@@]([C@@H](OC(=O)C)/C=C/CCCC(OC)=O)(C1=O)[H])C/C=C/CCCCC

subset

  • 2_STAR

synonym EXACT

  • methyl (E,7S)-7-acetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186493

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