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CHEBI:227831 - Stagonosporyne B

ChEBI IDCHEBI:227831
ChEBI NameStagonosporyne B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESC=C(C)C#C[C@@]1(O)[C@H](O)CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H16O4/c1-7(2)5-6-11(15)9(13)4-3-8(12)10(11)14/h8-10,12-15H,1,3-4H2,2H3/t8-,9-,10+,11-/m1/s1
InChIKeySCUFTJDYRVZATO-CHWFTXMASA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum SN15 (ncbitaxon:321614) - PubMed (31302342)
ChEBI Ontology
Outgoing Relation(s)
Stagonosporyne B (CHEBI:227831) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
(1R,2R,3S,4R)-2-(3-methylbut-3-en-1-ynyl)cyclohexane-1,2,3,4-tetrol