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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > bartanolide
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > bartanolide
... > 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 ester > fatty acid ester > bartanolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > bartanolide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > bartanolide

Preferred term

bartanolide  

Type

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

Broader concept

charge

  • 0

formula

  • C14H20O6

inchi

  • InChI=1S/C14H20O6/c1-3-4-13(17)20-12-7-9(2)19-14(18)6-5-10(15)8-11(12)16/h3-4,9-10,12,15H,5-8H2,1-2H3/b4-3+/t9-,10+,12-/m1/s1

inchikey

  • CHNUUPOAYWBFFJ-FJCCROBBSA-N

mass

  • 284.308

monoisotopicmass

  • 284.12599

smiles

  • O=C1O[C@@H](C[C@@H](OC(=O)/C=C/C)C(=O)C[C@H](CC1)O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,4R,7S)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl] (E)-but-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208593

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