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CHEBI:198972 - BU-4601 C

ChEBI IDCHEBI:198972
ChEBI NameBU-4601 C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H31NO3
Net Charge0
Average Mass321.461
Monoisotopic Mass321.23039
SMILESCC(C)CCCCCCCCCOC(=O)c1cc(O)ccc1N
InChIInChI=1S/C19H31NO3/c1-15(2)10-8-6-4-3-5-7-9-13-23-19(22)17-14-16(21)11-12-18(17)20/h11-12,14-15,21H,3-10,13,20H2,1-2H3
InChIKeyVTMIHLZFVYDESV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8514624)
ChEBI Ontology
Outgoing Relation(s)
BU-4601 C (CHEBI:198972) is a benzoate ester (CHEBI:36054)
BU-4601 C (CHEBI:198972) is a phenols (CHEBI:33853)
IUPAC Name 
10-methylundecyl 2-amino-5-hydroxybenzoate
Manual XrefsDatabases
167013ChemSpider