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CHEBI:224911 - Stereumin D

ChEBI IDCHEBI:224911
ChEBI NameStereumin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C1CO[C@H]2C(C)=CC[C@@H]3[C@@H]2C1(O)C(=O)C[C@@H]3C
InChIInChI=1S/C15H20O3/c1-8-4-5-11-9(2)6-12(16)15(17)10(3)7-18-14(8)13(11)15/h4,9,11,13-14,17H,3,5-7H2,1-2H3/t9-,11-,13-,14-,15?/m0/s1
InChIKeyJZVWUKAVQONLKS-DBKMLAGBSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (18325552)
ChEBI Ontology
Outgoing Relation(s)
Stereumin D (CHEBI:224911) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,8S,9S,13S)-5-hydroxy-8,12-dimethyl-4-methylidene-2-oxatricyclo[7.3.1.05,13]tridec-11-en-6-one
Manual XrefsDatabases
78441420ChemSpider