CHEBI:208996 - (-)-asperteretone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-asperteretone A
ChEBI ID CHEBI:208996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O6
Net Charge 0
Average Mass 398.455
Monoisotopic Mass 398.17294
InChI InChI=1S/C23H26O6/c1-14(2)4-6-16-7-5-15(13-20(16)25)12-19(23(28)29-3)21(22(26)27)17-8-10-18(24)11-9-17/h4-5,7-11,13,19,21,24-25H,6,12H2,1-3H3,(H,26,27)/t19-,21+/m0/s1
InChIKey AQEPQBQWJWTQJY-PZJWPPBQSA-N
SMILES O=C(OC)[C@H]([C@@H](C1=CC=C(O)C=C1)C(=O)O)CC2=CC(O)=C(CC=C(C)C)C=C2
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing (-)-asperteretone A (CHEBI:208996) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3S)-3-[[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-methoxy-4-oxobutanoic acid
Manual Xref Database
71048797 ChemSpider
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