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Concept information

Preferred term

(2z,4e)-(1's,3'r)-3′-hydroxy-gamma-ionylideneacetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C15H22O3

inchi

  • InChI=1S/C15H22O3/c1-10(9-14(17)18)5-7-12-11(2)6-8-13(16)15(12,3)4/h5,7,9,12-13,16H,2,6,8H2,1,3-4H3,(H,17,18)/b7-5+,10-9-/t12-,13+/m0/s1

inchikey

  • XDRODHLVFJLYRJ-ICVCPDOKSA-N

mass

  • 250.338

monoisotopicmass

  • 250.15689

smiles

  • O=C(O)/C=C(/C=C/[C@H]1C(=C)CC[C@H](C1(C)C)O)/C

subset

  • 2_STAR

synonym EXACT

  • (2Z,4E)-5-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217861

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