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Concept information

Preferred term

cp 47,497-c8-homolog c-8-hydroxy metabolite  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36O3

inchi

  • InChI=1S/C22H36O3/c1-22(2,13-6-4-3-5-7-14-23)18-11-12-20(21(25)16-18)17-9-8-10-19(24)15-17/h11-12,16-17,19,23-25H,3-10,13-15H2,1-2H3/t17-,19+/m0/s1

inchikey

  • CGEUPVXPOYJOQH-PKOBYXMFSA-N

mass

  • 348.527

monoisotopicmass

  • 348.26645

smiles

  • O[C@H]1C[C@](CCC1)(C2=C(O)C=C(C(CCCCCCCO)(C)C)C=C2)[H]

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(9-hydroxy-2-methylnonan-2-yl)phenol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197187

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