CHEBI:213447 - Alterchothecene B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Alterchothecene B
ChEBI ID CHEBI:213447
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O5
Net Charge 0
Average Mass 336.428
Monoisotopic Mass 336.19367
InChI InChI=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
InChIKey CYFYEQPCMIHWMI-HULHSAFCSA-N
SMILES O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)[C@@]2(O)CO)C)C)/C=C\C
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: PubMed
ChEBI Ontology
Outgoing 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