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CHEBI:201763 - Butyrolactone IX

ChEBI IDCHEBI:201763
ChEBI NameButyrolactone IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O5
Net Charge0
Average Mass366.413
Monoisotopic Mass366.14672
SMILESCC(C)=CCc1cc(C[C@@]2(O)OC(=O)C=C2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C22H22O5/c1-14(2)3-5-17-11-15(4-10-20(17)24)13-22(26)19(12-21(25)27-22)16-6-8-18(23)9-7-16/h3-4,6-12,23-24,26H,5,13H2,1-2H3/t22-/m1/s1
InChIKeyIBLCTZODOHIUCU-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotii (ncbitaxon:264951) - DOI (10.1016/j.phytol.2014.11.014)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone IX (CHEBI:201763) is a phenols (CHEBI:33853)
IUPAC Name 
(5R)-5-hydroxy-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-(4-hydroxyphenyl)uran-2-one
Manual XrefsDatabases
35516799ChemSpider