CHEBI:209591 - BU-4601 B

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 BU-4601 B
ChEBI ID CHEBI:209591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H29NO3
Net Charge 0
Average Mass 307.434
Monoisotopic Mass 307.21474
InChI InChI=1S/C18H29NO3/c1-14(2)9-7-5-3-4-6-8-12-22-18(21)16-13-15(20)10-11-17(16)19/h10-11,13-14,20H,3-9,12,19H2,1-2H3
InChIKey NGQKBZVVKVAIIG-UHFFFAOYSA-N
SMILES O=C(OCCCCCCCCC(C)C)C1=C(N)C=CC(=C1)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing BU-4601 B (CHEBI:209591) is a benzoate ester (CHEBI:36054)
BU-4601 B (CHEBI:209591) is a phenols (CHEBI:33853)
IUPAC Name
9-methyldecyl 2-amino-5-hydroxybenzoate
Manual Xref Database
167012 ChemSpider
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