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Concept information

organooxygen compound > carbon oxoacid > carboxylic acid > oxo carboxylic acid > (9r,13r)-12-oxophytodienoic acid

Preferred term

(9r,13r)-12-oxophytodienoic acid  

Type

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

charge

  • 0

formula

  • C18H28O3

inchi

  • InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

inchikey

  • PMTMAFAPLCGXGK-GTOOTHNYSA-N

is_conjugate_acid_of

mass

  • 292.41310

monoisotopicmass

  • 292.20384

smiles

  • CC/C=C/C[C@@H]1[C@H](CCCCCCCC(O)=O)C=CC1=O

subset

  • 3_STAR

synonym EXACT

  • 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:34005

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