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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 > (3r,3'r,4ar,5r,6r)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4h-naphthalene-3,2'-oxirane]-2-one
... > 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 > (3r,3'r,4ar,5r,6r)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4h-naphthalene-3,2'-oxirane]-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > (3r,3'r,4ar,5r,6r)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4h-naphthalene-3,2'-oxirane]-2-one

Preferred term

(3r,3'r,4ar,5r,6r)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4h-naphthalene-3,2'-oxirane]-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C15H19ClO4

inchi

  • InChI=1S/C15H19ClO4/c1-8-11(18)5-10(16)9-4-12(19)15(6-13(8,9)2)14(3,7-17)20-15/h4-5,8,11,17-18H,6-7H2,1-3H3/t8-,11-,13+,14+,15-/m0/s1

inchikey

  • WERSVGPUGLNWBF-FQWSUXQDSA-N

mass

  • 298.760

monoisotopicmass

  • 298.09719

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202501

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