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CHEBI:209190 - Asperteretal G1

ChEBI IDCHEBI:209190
ChEBI NameAsperteretal G1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCOC(=O)[C@H](c1ccc(O)cc1)[C@@H](Cc1ccc(O)c(CC=C(C)C)c1)C(=O)O
InChIInChI=1S/C23H26O6/c1-14(2)4-6-17-12-15(5-11-20(17)25)13-19(22(26)27)21(23(28)29-3)16-7-9-18(24)10-8-16/h4-5,7-12,19,21,24-25H,6,13H2,1-3H3,(H,26,27)/t19-,21-/m1/s1
InChIKeyPQVPYQLEBUZLDC-TZIWHRDSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30400195)
ChEBI Ontology
Outgoing Relation(s)
Asperteretal G1 (CHEBI:209190) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3S)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-4-oxobutanoic acid
Manual XrefsDatabases
70951784ChemSpider