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CHEBI:231305 - Teucrin A

ChEBI IDCHEBI:231305
ChEBI NameTeucrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESC[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
InChIInChI=1S/C19H20O6/c1-9-15(20)16-14-11(17(21)25-16)3-2-4-12(14)19(9)7-13(24-18(19)22)10-5-6-23-8-10/h5-6,8-9,12-13,15-16,20H,2-4,7H2,1H3/t9-,12+,13+,15+,16-,19-/m1/s1
InChIKeyAONLJCCUYGGOSW-PJERILTQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
Teucrin A (CHEBI:231305) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,5'S,8S,9S,10S,11S)-5'-(uran-3-yl)-11-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
Manual XrefsDatabases
140277ChemSpider