MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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aurachin C

	Properties	Image
MNX_ID	MNXM43006
reference	chebi:90888
formula	C₂₅H₃₃NO₂
global charge	0
mol weight	379.544
InChIKey	FIHXCHBEHLCXEG-YEFHWUCQSA-N
InChI	InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)N(O)C2=C(C=CC=C2)C1=O

MNX internals

InChI (mnx)	InChI=1/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
SMILES (mnx)	[CH3:1][C:18]([CH3:2])=[CH:10][CH2:8][CH2:11]/[C:19]([CH3:3])=[CH:12]/[CH2:9][CH2:13]/[C:20]([CH3:4])=[CH:16]/[CH2:17][C:22]1=[C:21]([CH3:5])[N:26]([OH:28])[C:24]2=[CH:15][CH:7]=[CH:6][CH:14]=[C:23]2[C:25]1=[O:27]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90888 chebi:90888 FIHXCHBEHLCXEG-YEFHWUCQSA-N	aurachin C 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one aurachin-C
kegg.compound:C21330 keggC:C21330 FIHXCHBEHLCXEG-YEFHWUCQSA-N	Aurachin C
metacyc.compound:CPD-7733 metacycM:CPD-7733 FIHXCHBEHLCXEG-YEFHWUCQSA-N	aurachin C
seed.compound:cpd24849 seedM:cpd24849 FIHXCHBEHLCXEG-YEFHWUCQSA-N	aurachin-C aurachin C
keggC:M_C21330 seedM:M_cpd24849	secondary/obsolete/fantasy identifier