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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > phomaketide e
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > phomaketide e
... > 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 > phomaketide e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > phomaketide e
... > 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 > phomaketide e

Preferred term

phomaketide e  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O6

inchi

  • InChI=1S/C22H34O6/c1-13(2)7-11-18-22(5,28-18)20-14(3)8-10-17(21(20)26-6)27-19(25)12-9-16(24)15(4)23/h7,9,12,15-18,20-21,23-24H,3,8,10-11H2,1-2,4-6H3/b12-9+/t15-,16+,17-,18-,20-,21-,22-/m0/s1

inchikey

  • NCKMLMSPPSWVIH-CDBASJRESA-N

mass

  • 394.508

monoisotopicmass

  • 394.23554

smiles

  • O=C(O[C@@H]1[C@H](OC)[C@H](C(=C)CC1)[C@]2(O[C@H]2CC=C(C)C)C)/C=C/[C@@H](O)[C@@H](O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,3S)-2-methoxy-4-methylidene-3-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] (E,4R,5S)-4,5-dihydroxyhex-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206202

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