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CHEBI:198888 - Butyrolactone VII

ChEBI IDCHEBI:198888
ChEBI NameButyrolactone VII
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCCOC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C25H26O7/c1-4-31-24(30)25(14-16-6-12-20(27)18(13-16)7-5-15(2)3)21(22(28)23(29)32-25)17-8-10-19(26)11-9-17/h5-6,8-13,26-28H,4,7,14H2,1-3H3/t25-/m1/s1
InChIKeyVDBCMUZSRZGQBK-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21048353)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone VII (CHEBI:198888) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl (2R)-4-hydroxy-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
28288103ChemSpider