CHEBI:198522 - N-butyl asterrate

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ChEBI Name N-butyl asterrate
ChEBI ID CHEBI:198522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O8
Net Charge 0
Average Mass 404.415
Monoisotopic Mass 404.14712
InChI InChI=1S/C21H24O8/c1-5-6-7-28-21(25)18-15(23)8-12(2)9-16(18)29-19-14(20(24)27-4)10-13(22)11-17(19)26-3/h8-11,22-23H,5-7H2,1-4H3
InChIKey AMBZQPZFNBPPTD-UHFFFAOYSA-N
SMILES O=C(OCCCC)C1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C(C)C=C1O
Metabolite of Species Details
Geomycesspecies (NCBI:txid1715258) See: PubMed
ChEBI Ontology
Outgoing N-butyl asterrate (CHEBI:198522) is a aromatic ether (CHEBI:35618)
IUPAC Name
butyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual Xref Database
24707900 ChemSpider
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