CHEBI:200652 - Trichoverrol 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 Trichoverrol B
ChEBI ID CHEBI:200652
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O7
Net Charge 0
Average Mass 420.502
Monoisotopic Mass 420.21480
InChI InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16+,17-,18-,19-,21-,22-,23?/m1/s1
InChIKey QFKRKMXPKBHGGO-ASPXSLNMSA-N
SMILES O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)C24OC4)CO)C)\C=C/C=C/[C@H](O)[C@H](O)C
Metabolite of Species Details
Myrothecium (NCBI:txid5531) See: DOI
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Trichoverrol B (CHEBI:200652) is a trichothecene (CHEBI:55517)
IUPAC Name
[(1S,2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
Manual Xref Database
78440084 ChemSpider
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