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Chemistry, part 2

Content language

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Concept information

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

Preferred term

botcinolide  

Type

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

Broader concept

charge

  • 0

formula

  • C20H34O8

inchi

  • InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14?,16-,17+,18+,20-/m1/s1

inchikey

  • YFWCDPYMHQAWJE-PZLDCHGPSA-N

mass

  • 402.484

monoisotopicmass

  • 402.22537

smiles

  • O=C1O[C@H]([C@H](OC(=O)/C=C/C(O)CCCC)[C@@H](C)[C@@H]([C@]([C@H]([C@H]1C)O)(O)C)O)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4S,5S,6R,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl] (E)-4-hydroxyoct-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203265

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