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CHEBI:197948 - Isobutyrolactone II

ChEBI IDCHEBI:197948
ChEBI NameIsobutyrolactone II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCO[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C18H16O6/c1-23-18(10-11-2-6-13(19)7-3-11)15(16(21)17(22)24-18)12-4-8-14(20)9-5-12/h2-9,19-21H,10H2,1H3/t18-/m1/s1
InChIKeyNIRMZWVJIJSJIF-GOSISDBHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1016/j.phytol.2015.02.009)
ChEBI Ontology
Outgoing Relation(s)
Isobutyrolactone II (CHEBI:197948) is a phenols (CHEBI:33853)
IUPAC Name 
(5R)-3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxyuran-2-one
Manual XrefsDatabases
78441965ChemSpider