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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
organooxygen compound > ester > lactone > delta-lactone > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
organooxygen compound > oxacycle > lactone > delta-lactone > (1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one

Preferred term

(1r,4r,5r,8s)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one  

Type

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

charge

  • 0

formula

  • C10H16O3

inchi

  • InChI=1S/C10H16O3/c1-6-7-3-4-10(2,12)8(5-7)13-9(6)11/h6-8,12H,3-5H2,1-2H3/t6-,7-,8-,10+/m1/s1

inchikey

  • NIVFCUNTHUULDF-DQUBFYRCSA-N

mass

  • 184.233

monoisotopicmass

  • 184.10994

smiles

  • O1[C@]2([C@](CC[C@@]([C@H](C1=O)C)(C2)[H])(O)C)[H]

subset

  • 3_STAR

synonym EXACT

  • (1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141296

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