EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217751 - 2-O-methylbutyrolactone I

ChEBI IDCHEBI:217751
ChEBI Name2-O-methylbutyrolactone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)cc1
InChIInChI=1S/C25H26O7/c1-15(2)5-7-18-13-16(6-12-20(18)27)14-25(24(29)31-4)21(22(30-3)23(28)32-25)17-8-10-19(26)11-9-17/h5-6,8-13,26-27H,7,14H2,1-4H3/t25-/m1/s1
InChIKeyFCSKUNOKIVAIKK-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (26363883)
ChEBI Ontology
Outgoing Relation(s)
2-O-methylbutyrolactone I (CHEBI:217751) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxouran-2-carboxylate
Manual XrefsDatabases
40256557ChemSpider