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CHEBI:217565 - Tubakialactone E

ChEBI IDCHEBI:217565
ChEBI NameTubakialactone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(OC)c2c(c1)C(C)(C(C)O)OC2=O
InChIInChI=1S/C13H16O5/c1-7(14)13(2)9-5-8(16-3)6-10(17-4)11(9)12(15)18-13/h5-7,14H,1-4H3
InChIKeyVDPWRNYMVKSNST-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tubakia (ncbitaxon:881292) - DOI (10.1016/j.tetlet.2017.04.076)
ChEBI Ontology
Outgoing Relation(s)
Tubakialactone E (CHEBI:217565) is a benzofurans (CHEBI:35259)
IUPAC Name 
3-(1-hydroxyethyl)-5,7-dimethoxy-3-methyl-2-benzouran-1-one
Manual XrefsDatabases
78435286ChemSpider