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CHEBI:202936 - Loxodin

Default Structure
ChEBI IDCHEBI:202936
ChEBI NameLoxodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESCCCCCc1c2c(cc(O)c1C(=O)OC)OC(=O)c1c(cc(O)cc1C(=O)CCCC)O2
InChIInChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(29)31-3)18(28)13-20-23(15)32-19-12-14(26)11-16(17(27)10-7-5-2)22(19)25(30)33-20/h11-13,26,28H,4-10H2,1-3H3
InChIKeyKDGYIQJGCXRCIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/s0031-9422(00)85239-5)
ChEBI Ontology
Outgoing Relation(s)
Loxodin (CHEBI:202936) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl 3,9-dihydroxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylate
Manual XrefsDatabases
78434742ChemSpider