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CHEBI:201755 - Butyrolactone VI

ChEBI IDCHEBI:201755
ChEBI NameButyrolactone VI
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O9
Net Charge0
Average Mass458.463
Monoisotopic Mass458.15768
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CC(O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C24H26O9/c1-23(2,31)18(27)11-15-10-13(4-9-17(15)26)12-24(22(30)32-3)19(20(28)21(29)33-24)14-5-7-16(25)8-6-14/h4-10,18,25-28,31H,11-12H2,1-3H3/t18?,24-/m1/s1
InChIKeyJICCDSOXRQWNCM-VCUSLETLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21048353)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone VI (CHEBI:201755) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78436772ChemSpider