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CHEBI:225628 - Stereumin M

ChEBI IDCHEBI:225628
ChEBI NameStereumin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C1CO[C@@H]2[C@H]3[C@H](CC(=O)[C@@H]2C)[C@@H](C)CC(=O)[C@@]13O
InChIInChI=1S/C15H20O4/c1-7-4-12(17)15(18)8(2)6-19-14-9(3)11(16)5-10(7)13(14)15/h7,9-10,13-14,18H,2,4-6H2,1,3H3/t7-,9-,10+,13+,14-,15-/m0/s1
InChIKeyWZCAALLBFMLHLR-HPKNGNGWSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (23177358)
ChEBI Ontology
Outgoing Relation(s)
Stereumin M (CHEBI:225628) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,5S,8S,9R,12R,13R)-5-hydroxy-8,12-dimethyl-4-methylidene-2-oxatricyclo[7.3.1.05,13]tridecane-6,11-dione
Manual XrefsDatabases
78443485ChemSpider