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Concept information

Preferred term

(1R,4aS,5R,8aS) 5 ( هیدروکسی 3 متیل پنتیل) 1,4a دی 6 متیلیدن ,4,,7,8,8a hexahydro 2H نفتالین کربوکسیلیک اسید  

Type

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

Broader concept

charge

  • 0

formula

  • C20H34O3

inchi

  • InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14?,16-,17+,19+,20-/m1/s1

inchikey

  • NSRKLZRKJJQJLD-KXBJDGJWSA-N

mass

  • 322.489

monoisotopicmass

  • 322.25079

smiles

  • OC(=O)[C@]1([C@@]2([C@]([C@@H](C(CC2)=C)CCC(CCO)C)(CCC1)C)[H])C

subset

  • 2_STAR

synonym EXACT

  • (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182071

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