CHEBI:224298 - Verrol

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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 Verrol
ChEBI ID CHEBI:224298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O6
Net Charge 0
Average Mass 378.465
Monoisotopic Mass 378.20424
InChI InChI=1S/C21H30O6/c1-13-4-6-20(11-25-18(24)9-14(2)5-7-22)16(8-13)27-17-10-15(23)19(20,3)21(17)12-26-21/h8-9,15-17,22-23H,4-7,10-12H2,1-3H3/b14-9+/t15-,16-,17-,19-,20-,21+/m1/s1
InChIKey PZTXWUDHQJHJOJ-LJQLBOGDSA-N
SMILES O=C(OC[C@@]12[C@@]3([C@@]4(OC4)[C@H](O[C@@H]1C=C(C)CC2)C[C@H]3O)C)/C=C(/CCO)\C
Metabolite of Species Details
Albifimbria verrucaria (NCBI:txid1859699) See: DOI
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
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ChEBI Ontology
Outgoing Verrol (CHEBI:224298) is a trichothecene (CHEBI:55517)
IUPAC Name
[(1S,2R,7R,9R,11R,12S)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-5-hydroxy-3-methylpent-2-enoate
Manual Xref Database
4944996 ChemSpider
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