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CHEBI:207866 - 7-(14-hydroxypropan-13-yl)-8-isobutyl-7,8-dihydrobenzo[c]oxepin-1(3H)-one

ChEBI IDCHEBI:207866
ChEBI Name7-(14-hydroxypropan-13-yl)-8-isobutyl-7,8-dihydrobenzo[c]oxepin-1(3H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCC(C)C[C@@H]1COC(=O)c2ccccc2[C@H]1[C@H](C)CO
InChIInChI=1S/C17H24O3/c1-11(2)8-13-10-20-17(19)15-7-5-4-6-14(15)16(13)12(3)9-18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13-,16+/m1/s1
InChIKeyJWFNGQLKUBWPBJ-IOASZLSFSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (28842846)
ChEBI Ontology
Outgoing Relation(s)
7-(14-hydroxypropan-13-yl)-8-isobutyl-7,8-dihydrobenzo[c]oxepin-1(3H)-one (CHEBI:207866) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4S,5S)-5-[(2S)-1-hydroxypropan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-3H-2-benzoxepin-1-one
Manual XrefsDatabases
71049013ChemSpider