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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1h-benzo[7]annulen-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1h-benzo[7]annulen-3-one

Preferred term

6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1h-benzo[7]annulen-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C15H22O3

inchi

  • InChI=1S/C15H22O3/c1-10-13-7-12(9-17)11(8-16)3-5-15(13,2)6-4-14(10)18/h7,11,16-17H,3-6,8-9H2,1-2H3

inchikey

  • DPBOXKYWJVXMAW-UHFFFAOYSA-N

mass

  • 250.338

monoisotopicmass

  • 250.15689

smiles

  • OCC1CCC2(CCC(=O)C(=C2C=C1CO)C)C

subset

  • 2_STAR

synonym EXACT

  • 6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181601

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