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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > 18-bromo-9-hydroxy-12,13-trans-epoxy-(10e,15z)-octadeca-10,15-diene-17-ynoic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > 18-bromo-9-hydroxy-12,13-trans-epoxy-(10e,15z)-octadeca-10,15-diene-17-ynoic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > long-chain fatty acid > 18-bromo-9-hydroxy-12,13-trans-epoxy-(10e,15z)-octadeca-10,15-diene-17-ynoic acid methyl ester

Preferred term

18-bromo-9-hydroxy-12,13-trans-epoxy-(10e,15z)-octadeca-10,15-diene-17-ynoic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C18H25BrO4

inchi

  • InChI=1S/C18H25BrO4/c19-14-8-4-6-10-16-17(23-16)13-12-15(20)9-5-2-1-3-7-11-18(21)22/h4,6,12-13,15-17,20H,1-3,5,7,9-11H2,(H,21,22)/b6-4-,13-12+/t15-,16+,17+/m1/s1

inchikey

  • WYIAGFGZYFISHV-JEISWCHQSA-N

mass

  • 385.298

monoisotopicmass

  • 384.09362

smiles

  • BrC#C/C=C/C[C@@H]1O[C@H]1/C=C/[C@H](O)CCCCCCCC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (E,9R)-11-[(2S,3S)-3-[(Z)-5-bromopent-2-en-4-ynyl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208067

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