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CHEBI:175711 - Sporotrichiol

ChEBI IDCHEBI:175711
ChEBI NameSporotrichiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILES[H][C@@]12C=C(C)[C@@H](OC(=O)CC(C)C)C[C@]1(CO)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18-,19-,20+/m1/s1
InChIKeyRCFUVEKOPPKTBN-HSZRPRSMSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Sporotrichiol (CHEBI:175711) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,2R,4S,7R,9R,10R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Manual XrefsDatabases
78436191ChemSpider
Registry NumbersSources
CAS:101401-89-2ChemIDplus