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CHEBI:182230 - [(1R,2R,4S,7R,9R,10R,12S)-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

ChEBI IDCHEBI:182230
ChEBI Name[(1R,2R,4S,7R,9R,10R,12S)-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O7
Net Charge0
Average Mass408.491
Monoisotopic Mass408.21480
SMILES[H][C@@]12C=C(C)[C@@H](OC(=O)CC(C)C)C[C@]1(COC(C)=O)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C22H32O7/c1-12(2)6-18(25)28-16-9-21(10-26-14(4)23)17(7-13(16)3)29-19-15(24)8-20(21,5)22(19)11-27-22/h7,12,15-17,19,24H,6,8-11H2,1-5H3/t15-,16+,17-,19-,20-,21-,22+/m1/s1
InChIKeyQIEPESYLHXEYLK-WTKUDMQKSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
[(1R,2R,4S,7R,9R,10R,12S)-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate (CHEBI:182230) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,2R,4S,7R,9R,10R,12S)-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate