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CHEBI:181805 - Anguidine

ChEBI IDCHEBI:181805
ChEBI NameAnguidine
Stars
Last Modified19 October 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O7
Net Charge0
Average Mass366.410
Monoisotopic Mass366.16785
SMILESCC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2
InChIInChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3
InChIKeyAUGQEEXBDZWUJY-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Anguidine (CHEBI:181805) is a trichothecene (CHEBI:55517)
IUPAC Name 
(11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Synonyms  Source
3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetateChEBI
AnguidinChEBI
Manual XrefsDatabases
HMDB0035104HMDB
C09662KEGG COMPOUND
373646ChemSpider