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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > fr-111142
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > fr-111142
... > 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 > fr-111142
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > fr-111142
... > 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 > fr-111142

Preferred term

fr-111142  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O7

inchi

  • InChI=1S/C22H34O7/c1-13(2)6-8-17-21(4,29-17)20-19(26-5)16(10-11-22(20)12-27-22)28-18(25)9-7-15(24)14(3)23/h6-7,9,14-17,19-20,23-24H,8,10-12H2,1-5H3/b9-7+/t14?,15?,16-,17-,19-,20-,21+,22+/m1/s1

inchikey

  • PBVLBMJXKARLBU-VWNABXHMSA-N

mass

  • 410.507

monoisotopicmass

  • 410.23045

smiles

  • O=C(O[C@H]1[C@@H](OC)[C@@H]([C@]2(OC2)CC1)[C@]3(O[C@@H]3CC=C(C)C)C)/C=C/C(O)C(O)C

subset

  • 2_STAR

synonym EXACT

  • [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-4,5-dihydroxyhex-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204973

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