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CHEBI:207854 - 9-(tetrahydro-12-isopropyl-11-oxofuran-10-yl)-ethyl-4-ethoxy-2-hydroxybenzoate

ChEBI IDCHEBI:207854
ChEBI Name9-(tetrahydro-12-isopropyl-11-oxofuran-10-yl)-ethyl-4-ethoxy-2-hydroxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILESCCOc1cc(O)ccc1C(=O)OCC[C@@H]1C[C@@H](C(C)C)OC1=O
InChIInChI=1S/C18H24O6/c1-4-22-16-10-13(19)5-6-14(16)18(21)23-8-7-12-9-15(11(2)3)24-17(12)20/h5-6,10-12,15,19H,4,7-9H2,1-3H3/t12-,15+/m1/s1
InChIKeyZGBLUBDWRCSUCR-DOMZBBRYSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (28842846)
ChEBI Ontology
Outgoing Relation(s)
9-(tetrahydro-12-isopropyl-11-oxofuran-10-yl)-ethyl-4-ethoxy-2-hydroxybenzoate (CHEBI:207854) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
2-[(3R,5S)-2-oxo-5-propan-2-yloxolan-3-yl]ethyl 2-ethoxy-4-hydroxybenzoate
Manual XrefsDatabases
71048656ChemSpider