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CHEBI:220980 - Aspernolide G

ChEBI IDCHEBI:220980
ChEBI NameAspernolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESCCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)(C(=O)OC)OC1=O
InChIInChI=1S/C26H30O9/c1-5-34-22-21(16-7-9-18(27)10-8-16)26(24(31)33-4,35-23(22)30)14-15-6-11-19(28)17(12-15)13-20(29)25(2,3)32/h6-12,20,27-29,32H,5,13-14H2,1-4H3/t20-,26+/m0/s1
InChIKeyQUSUCMRGJBZSBW-RXFWQSSRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1016/j.phytol.2015.09.006)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide G (CHEBI:220980) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-4-ethoxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78443453ChemSpider