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CHEBI:206777 - Methyl 8-(2-(benzoyloxy)-ethyl)-hexahydro-4-((E)-pent-2-enyl)-2H-chromene-6-carboxylate

ChEBI IDCHEBI:206777
ChEBI NameMethyl 8-(2-(benzoyloxy)-ethyl)-hexahydro-4-((E)-pent-2-enyl)-2H-chromene-6-carboxylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILESCC/C=C/CC1=CCOC2C(CCOC(=O)c3ccccc3)CC(C(=O)OC)CC12
InChIInChI=1S/C25H32O5/c1-3-4-6-9-18-12-14-29-23-20(16-21(17-22(18)23)24(26)28-2)13-15-30-25(27)19-10-7-5-8-11-19/h4-8,10-12,20-23H,3,9,13-17H2,1-2H3/b6-4+
InChIKeyAEWFWIVASICADC-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (27719931)
ChEBI Ontology
Outgoing Relation(s)
Methyl 8-(2-(benzoyloxy)-ethyl)-hexahydro-4-((E)-pent-2-enyl)-2H-chromene-6-carboxylate (CHEBI:206777) is a benzoate ester (CHEBI:36054)
IUPAC Name 
methyl 8-(2-benzoyloxyethyl)-4-[(E)-pent-2-enyl]-4a,5,6,7,8,8a-hexahydro-2H-chromene-6-carboxylate
Manual XrefsDatabases
61708692ChemSpider