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CHEBI:208013 - Stereumin S

ChEBI IDCHEBI:208013
ChEBI NameStereumin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC1=CC[C@H]2[C@@H]3[C@H]1OC[C@@H](CO)[C@]3(O)C(=O)C[C@@H]2C
InChIInChI=1S/C15H22O4/c1-8-3-4-11-9(2)5-12(17)15(18)10(6-16)7-19-14(8)13(11)15/h3,9-11,13-14,16,18H,4-7H2,1-2H3/t9-,10+,11+,13+,14-,15-/m0/s1
InChIKeyCBCYAVQSCOHMQS-WGTIWHRCSA-N
Species of MetaboliteComponentSourceComments
Stereum cf. sanguinolentum BCC 22926 (ncbitaxon:1513716) - PubMed (25004810)
ChEBI Ontology
Outgoing Relation(s)
Stereumin S (CHEBI:208013) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,4R,5R,8S,9R,13R)-5-hydroxy-4-(hydroxymethyl)-8,12-dimethyl-2-oxatricyclo[7.3.1.05,13]tridec-11-en-6-one
Manual XrefsDatabases
78442107ChemSpider