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

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aurachin B

	Properties	Image
MNX_ID	MNXM148093
reference	chebi:90784
formula	C₂₅H₃₂NO₂
global charge	-1
mol weight	378.536
InChIKey	ZNSLRZHNFFXDSE-YEFHWUCQSA-M
InChI	InChI=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/p-1/b19-12+,20-16+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C([O-])C(C)=[N+]([O-])C2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/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+
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:23]1=[C:25]([OH:27])[C:21]([CH3:5])=[N+:26]([O-:28])[C:24]2=[CH:15][CH:7]=[CH:6][CH:14]=[C:22]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90784 chebi:90784 ZNSLRZHNFFXDSE-YEFHWUCQSA-M	aurachin B 2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1lambda(5)-quinolin-3-olate aurachin B(1-)
kegg.compound:C21140 keggC:C21140 ZNSLRZHNFFXDSE-YEFHWUCQSA-N	Aurachin B
metacyc.compound:CPD-15910 metacycM:CPD-15910 seed.compound:cpd31411 seedM:cpd31411 ZNSLRZHNFFXDSE-YEFHWUCQSA-M ZNSLRZHNFFXDSE-YEFHWUCQSA-N	aurachin B
CHEBI:131528 chebi:131528 ZNSLRZHNFFXDSE-YEFHWUCQSA-N	aurachin B 2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1lambda(5)-quinolin-3-ol Aurachin B
keggC:M_C21140 seedM:M_cpd31411	secondary/obsolete/fantasy identifier