EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199411 - Terrenolide S

ChEBI IDCHEBI:199411
ChEBI NameTerrenolide S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)cc2)(C(=O)OC)OC1=O
InChIInChI=1S/C21H20O7/c1-3-27-18-17(14-6-10-16(23)11-7-14)21(20(25)26-2,28-19(18)24)12-13-4-8-15(22)9-5-13/h4-11,22-23H,3,12H2,1-2H3/t21-/m1/s1
InChIKeyZKPLXHLJGTUBJR-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (26299734)
ChEBI Ontology
Outgoing Relation(s)
Terrenolide S (CHEBI:199411) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-4-ethoxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxouran-2-carboxylate
Manual XrefsDatabases
78440045ChemSpider