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CHEBI:200574 - Aspernolide D

ChEBI IDCHEBI:200574
ChEBI NameAspernolide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O9
Net Charge0
Average Mass458.463
Monoisotopic Mass458.15768
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(C[C@H](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+/m0/s1
InChIKeyJICCDSOXRQWNCM-MHECFPHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20823603)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide D (CHEBI:200574) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78436633ChemSpider