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CHEBI:200074 - Stereumin F

ChEBI IDCHEBI:200074
ChEBI NameStereumin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1[C@@H](O)[C@@H]2C(=CC[C@H]3[C@@H]2[C@@H](O)C[C@@H]3C)[C@@]1(C)O
InChIInChI=1S/C15H22O3/c1-7-6-11(16)12-9(7)4-5-10-13(12)14(17)8(2)15(10,3)18/h5,7,9,11-14,16-18H,2,4,6H2,1,3H3/t7-,9+,11-,12+,13+,14+,15-/m0/s1
InChIKeyPYQVJGJRCRIBAC-SGNKJEPPSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Stereumin F (CHEBI:200074) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,3R,5aR,6S,8S,8aS,8bS)-3,6-dimethyl-2-methylidene-1,5,5a,6,7,8,8a,8b-octahydro-as-indacene-1,3,8-triol
Manual XrefsDatabases
78440807ChemSpider