CHEBI:222876 - Xialenone 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 Xialenone B
ChEBI ID CHEBI:222876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H14O4
Net Charge 0
Average Mass 210.229
Monoisotopic Mass 210.08921
InChI InChI=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
InChIKey OUKOEFACJNTSQE-LAEOZQHASA-N
SMILES O=C1C(O)=C(CC=C)[C@@H]2[C@@]1(O)CC[C@@H]2O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
8664050 ChemSpider
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