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Concept information

Preferred term

(+/-)-cp 47,497-c7-hydroxy metabolite  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O3

inchi

  • InChI=1S/C21H34O3/c1-21(2,12-5-3-4-6-13-22)17-10-11-19(20(24)15-17)16-8-7-9-18(23)14-16/h10-11,15-16,18,22-24H,3-9,12-14H2,1-2H3/t16-,18+/m0/s1

inchikey

  • OVDBRQAUSFGKDW-FUHWJXTLSA-N

mass

  • 334.500

monoisotopicmass

  • 334.25079

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(8-hydroxy-2-methyloctan-2-yl)phenol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183780

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