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Concept information

... > organooxygen compound > ether > cyclic ether > epoxide > trichothecene > 3,8,15-trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
... > organooxygen compound > oxacycle > cyclic ether > epoxide > trichothecene > 3,8,15-trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate

Preferred term

3,8,15-trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H24O7

inchi

  • InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17?/m0/s1

inchikey

  • CSYVMZMEBKUDRQ-UETZSBHESA-N

mass

  • 340.372

monoisotopicmass

  • 340.15220

smiles

  • O1C2([C@]3([C@@]4([C@](O[C@@]2([C@H](O)[C@H]3OC(=O)C)[H])(C=C([C@@H](O)C4)C)[H])CO)C)C1

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,4S,7R,9R,10R,11S)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177657

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