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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 > chloctanspirone a
... > 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 > chloctanspirone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > chloctanspirone a

Preferred term

chloctanspirone a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H23ClO7

inchi

  • InChI=1S/C21H23ClO7/c1-4-5-6-7-11(23)13-14-20(3,29)18(28)19(2,17(13)27)9-21(14)15(25)10(22)8-12(24)16(21)26/h4-8,12,14,16,23-24,26,29H,9H2,1-3H3/b5-4+,7-6+,13-11+/t12-,14+,16-,19+,20-,21-/m0/s1

inchikey

  • PHXAMGFMNFACCT-DGFFYWDSSA-N

mass

  • 422.860

monoisotopicmass

  • 422.11323

smiles

  • ClC=1C(=O)[C@]2([C@@H]3/C(/C(=O)[C@](C2)(C)C([C@]3(O)C)=O)=C(/O)/C=C/C=C/C)[C@@H](O)[C@H](C1)O

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,4R,4'S,5E,5'R,8R)-2'-chloro-3,4',5'-trihydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylspiro[bicyclo[2.2.2]octane-8,6'-cyclohex-2-ene]-1',2,6-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198731

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