CHEBI:204334 - Terrephenol B

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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 Terrephenol B
ChEBI ID CHEBI:204334
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H26O8
Net Charge 0
Average Mass 454.475
Monoisotopic Mass 454.16277
InChI InChI=1S/C25H26O8/c1-14(2)5-11-18-19(31-3)12-8-16(21(18)27)13-25(24(30)32-4)20(22(28)23(29)33-25)15-6-9-17(26)10-7-15/h5-10,12,26-28H,11,13H2,1-4H3/t25-/m1/s1
InChIKey QXXJLFJADXECGI-RUZDIDTESA-N
SMILES O=C1O[C@](C(=O)OC)(CC2=C(O)C(=C(OC)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 B (CHEBI:204334) is a methoxybenzenes (CHEBI:51683)
Terrephenol B (CHEBI:204334) is a phenols (CHEBI:33853)
IUPAC Name
methyl (2R)-4-hydroxy-2-[[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual Xref Database
78440987 ChemSpider
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