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CHEBI:204483 - Stereumin N

ChEBI IDCHEBI:204483
ChEBI NameStereumin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC1=CC[C@@H]2[C@H]3[C@@H]1OC[C@H](CO)[C@@]3(O)[C@H](O)C[C@H]2C
InChIInChI=1S/C15H24O4/c1-8-3-4-11-9(2)5-12(17)15(18)10(6-16)7-19-14(8)13(11)15/h3,9-14,16-18H,4-7H2,1-2H3/t9-,10+,11+,12-,13+,14-,15-/m1/s1
InChIKeyNVHDDAKRXBVWPL-CAJFQKGDSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (23177358)
ChEBI Ontology
Outgoing Relation(s)
Stereumin N (CHEBI:204483) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,4S,5S,6R,8R,9S,13S)-4-(hydroxymethyl)-8,12-dimethyl-2-oxatricyclo[7.3.1.05,13]tridec-11-ene-5,6-diol
Manual XrefsDatabases
78443473ChemSpider