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CHEBI:213452 - Alterchothecene C

ChEBI IDCHEBI:213452
ChEBI NameAlterchothecene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O7
Net Charge0
Average Mass392.448
Monoisotopic Mass392.18350
SMILESC/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]2(O)COC(C)=O
InChIInChI=1S/C21H28O7/c1-6-7-18(24)28-16-9-17-21(25,11-26-13(3)22)20(16,5)19(4)10-14(23)12(2)8-15(19)27-17/h6-8,15-17,25H,9-11H2,1-5H3/b7-6-/t15-,16-,17-,19+,20-,21+/m1/s1
InChIKeyYLRBGKMDLAFTFI-UDKXGXFVSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (32018306)
ChEBI Ontology
Outgoing Relation(s)
Alterchothecene C (CHEBI:213452) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-12-(acetyloxymethyl)-12-hydroxy-1,2,5-trimethyl-4-oxo-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (Z)-but-2-enoate