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CHEBI:213447 - Alterchothecene B

ChEBI IDCHEBI:213447
ChEBI NameAlterchothecene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESC/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]2(O)CO
InChIInChI=1S/C19H28O5/c1-5-6-16(21)24-14-10-15-19(22,11-20)18(14,4)17(3)8-7-12(2)9-13(17)23-15/h5-6,9,13-15,20,22H,7-8,10-11H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKeyCYFYEQPCMIHWMI-HULHSAFCSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (32018306)
ChEBI Ontology
Outgoing Relation(s)
Alterchothecene B (CHEBI:213447) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-12-hydroxy-12-(hydroxymethyl)-1,2,5-trimethyl-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (Z)-but-2-enoate