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CHEBI:206589 - Seco-sporulositol

ChEBI IDCHEBI:206589
ChEBI NameSeco-sporulositol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC(C)=CCCc1c(C)ccc(C)c1CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[h1122h_3*OC(CCCCCC$4/9)C(/6)C(/5)CCC=CC/15C]/1/
InChIInChI=1S/C21H34O6/c1-13(2)6-5-7-16-14(3)8-9-15(4)17(16)12-27-21(19(25)11-23)20(26)18(24)10-22/h6,8-9,18-26H,5,7,10-12H2,1-4H3/t18-,19-,20-,21-/m1/s1
InChIKeyPSDUIZXSMTVVFX-XRXFAXGQSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (31083454)
ChEBI Ontology
Outgoing Relation(s)
Seco-sporulositol (CHEBI:206589) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[[3,6-dimethyl-2-(4-methylpent-3-enyl)phenyl]methoxy]hexane-1,2,3,5,6-pentol
Manual XrefsDatabases
73950471ChemSpider