CHEBI:206332 - Terrephenol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Terrephenol A
ChEBI ID CHEBI:206332
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O8
Net Charge 0
Average Mass 454.475
Monoisotopic Mass 454.16277
InChI InChI=1S/C25H26O8/c1-14(2)5-6-17-11-15(12-19(31-3)21(17)27)13-25(24(30)32-4)20(22(28)23(29)33-25)16-7-9-18(26)10-8-16/h5,7-12,26-28H,6,13H2,1-4H3/t25-/m1/s1
InChIKey UUJQXWCJZMPOBC-RUZDIDTESA-N
SMILES O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: DOI
ChEBI Ontology
Outgoing Terrephenol A (CHEBI:206332) is a methoxybenzenes (CHEBI:51683)
Terrephenol A (CHEBI:206332) is a phenols (CHEBI:33853)
IUPAC Name
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual Xref Database
78441069 ChemSpider
View more database links