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CHEBI:217160 - Aspernolide F

ChEBI IDCHEBI:217160
ChEBI NameAspernolide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESCCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)c(CC=C(C)C)c2)(C(=O)OC)OC1=O
InChIInChI=1S/C26H28O7/c1-5-32-23-22(18-9-11-20(27)12-10-18)26(25(30)31-4,33-24(23)29)15-17-7-13-21(28)19(14-17)8-6-16(2)3/h6-7,9-14,27-28H,5,8,15H2,1-4H3/t26-/m1/s1
InChIKeyDQKWENVYPMUZIN-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1016/j.phytol.2015.09.006)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide F (CHEBI:217160) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-4-ethoxy-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78443458ChemSpider