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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > branched-chain fatty acid > methyl-branched fatty acid > pestalotiopin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > branched-chain fatty acid > methyl-branched fatty acid > pestalotiopin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > branched-chain fatty acid > methyl-branched fatty acid > pestalotiopin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > branched-chain fatty acid > methyl-branched fatty acid > pestalotiopin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > branched-chain fatty acid > methyl-branched fatty acid > pestalotiopin a

Preferred term

pestalotiopin a  

Type

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

Broader concept

charge

  • 0

formula

  • C8H12O4

inchi

  • InChI=1S/C8H12O4/c1-6(5-8(10)11)3-4-12-7(2)9/h5H,3-4H2,1-2H3,(H,10,11)/b6-5+

inchikey

  • WRWUZZKIEIMUGX-AATRIKPKSA-N

mass

  • 172.180

monoisotopicmass

  • 172.07356

smiles

  • O=C(O)/C=C(/CCOC(=O)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E)-5-acetyloxy-3-methylpent-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202196

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