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CHEBI:131528 - aurachin B

ChEBI IDCHEBI:131528
ChEBI Nameaurachin B
Stars
DefinitionAn A-type aurachin that is quinoline N-oxide which is substituted by a methyl group at position 2, a hydroxy group at position 3, and a triprenyl group at position 4.
Last Modified21 August 2023
SubmitterSteve
DownloadsMolfile
FormulaC25H33NO2
Net Charge0
Average Mass379.544
Monoisotopic Mass379.25113
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(C)[n+]([O-])c2ccccc12
InChIInChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-23-22-14-6-7-15-24(22)26(28)21(5)25(23)27/h6-7,10,12,14-16,27H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKeyZNSLRZHNFFXDSE-YEFHWUCQSA-N
Species of MetaboliteComponentSourceComments
Stigmatella aurantiaca Sg a15 (ncbitaxon:675526) - PubMed (21979787) Strain: Sg a15
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
aurachin B (CHEBI:131528) has role bacterial metabolite (CHEBI:76969)
aurachin B (CHEBI:131528) is a A-type aurachin (CHEBI:90917)
aurachin B (CHEBI:131528) is a heteroaryl hydroxy compound (CHEBI:74818)
aurachin B (CHEBI:131528) is a olefinic compound (CHEBI:78840)
aurachin B (CHEBI:131528) is a quinoline N-oxide (CHEBI:26508)
aurachin B (CHEBI:131528) is conjugate acid of aurachin B(1−) (CHEBI:90784)
Incoming Relation(s)
aurachin B(1−) (CHEBI:90784) is conjugate base of aurachin B (CHEBI:131528)
IUPAC Name 
2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1λ5-quinolin-3-ol
Synonym  Source
Aurachin BKNApSAcK
Manual XrefsDatabases
C00017846KNApSAcK
CPD-15910MetaCyc
Registry NumbersSources
CAS:108354-12-7KNApSAcK
CAS:108354-12-7ChemIDplus
Citations