CHEBI:200514 - (S)-tenellic acid B dimethyl acetal

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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 (S)-tenellic acid B dimethyl acetal
ChEBI ID CHEBI:200514
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H30O8
Net Charge 0
Average Mass 434.485
Monoisotopic Mass 434.19407
InChI InChI=1S/C23H30O8/c1-12(2)9-16(24)14-7-8-18(19(22(26)27)21(14)28-4)31-20-15(23(29-5)30-6)10-13(3)11-17(20)25/h7-8,10-12,16,23-25H,9H2,1-6H3,(H,26,27)/t16-/m0/s1
InChIKey TWNKZTNRAGDRSW-INIZCTEOSA-N
SMILES O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C(OC)OC)[C@@H](O)CC(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing (S)-tenellic acid B dimethyl acetal (CHEBI:200514) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-[2-(dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid
Manual Xref Database
78436626 ChemSpider
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