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CHEBI:209202 - Asperteretal H

ChEBI IDCHEBI:209202
ChEBI NameAsperteretal H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCOC(=O)[C@H](O)[C@@H](C(=O)Cc1ccc(O)c(CC=C(C)C)c1)c1ccc(O)cc1
InChIInChI=1S/C23H26O6/c1-14(2)4-6-17-12-15(5-11-19(17)25)13-20(26)21(22(27)23(28)29-3)16-7-9-18(24)10-8-16/h4-5,7-12,21-22,24-25,27H,6,13H2,1-3H3/t21-,22-/m1/s1
InChIKeyODOBJYBFLKOXFR-FGZHOGPDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30400195)
ChEBI Ontology
Outgoing Relation(s)
Asperteretal H (CHEBI:209202) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
methyl (2R,3S)-2-hydroxy-5-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-4-oxopentanoate
Manual XrefsDatabases
70951786ChemSpider