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CHEBI:222876 - Xialenone B

ChEBI IDCHEBI:222876
ChEBI NameXialenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESC=CCC1=C(O)C(=O)[C@]2(O)CC[C@H](O)[C@H]12
InChIInChI=1S/C11H14O4/c1-2-3-6-8-7(12)4-5-11(8,15)10(14)9(6)13/h2,7-8,12-13,15H,1,3-5H2/t7-,8-,11-/m0/s1
InChIKeyOUKOEFACJNTSQE-LAEOZQHASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/1099-0690(200007)2000:13<2401::aid-ejoc2401>3.0.co;2-y)
ChEBI Ontology
Outgoing Relation(s)
Xialenone B (CHEBI:222876) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3aS,4S,6aS)-2,4,6a-trihydroxy-3-prop-2-enyl-3a,4,5,6-tetrahydropentalen-1-one
Manual XrefsDatabases
8664050ChemSpider