CHEBI:209202 - Asperteretal H

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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 Asperteretal H
ChEBI ID CHEBI:209202
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)4-6-17-12-15(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
InChIKey ODOBJYBFLKOXFR-FGZHOGPDSA-N
SMILES O=C(OC)[C@H](O)[C@H](C1=CC=C(O)C=C1)C(=O)CC2=CC(=C(O)C=C2)CC=C(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
70951786 ChemSpider
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