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

Feedback

Aucuparin

	Properties	Image
MNX_ID	MNXM43004
reference	chebi:2920
formula	C₁₄H₁₄O₃
global charge	0
mol weight	230.263
InChIKey	KCKBEANTNJGRCV-UHFFFAOYSA-N
InChI	InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3
SMILES	COC1=CC(C2=CC=CC=C2)=CC(OC)=C1O

MNX internals

InChI (mnx)	InChI=1/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3
SMILES (mnx)	[CH3:1][O:16][C:12]1=[C:14]([OH:15])[C:13]([O:17][CH3:2])=[CH:9][C:11]([C:10]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)=[CH:8]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2920 chebi:2920 KCKBEANTNJGRCV-UHFFFAOYSA-N	Aucuparin
hmdb:HMDB0302617 KCKBEANTNJGRCV-UHFFFAOYSA-N	Aucaparin 2,6-dimethoxy-4-phenylphenol 3,5-Dimethoxy-(1,1'-biphenyl)-4-ol aucuparin
seed.compound:cpd06808 seedM:cpd06808 KCKBEANTNJGRCV-UHFFFAOYSA-N	Aucuparin 2,6-dimethoxy-4-phenylphenol 3,5-Dimethoxy-(1,1'-biphenyl)-4-ol 3,5-dimethoxy-(1,1'-biphenyl)-4-ol aucuparin
kegg.compound:C09918 keggC:C09918 KCKBEANTNJGRCV-UHFFFAOYSA-N	Aucuparin 3,5-Dimethoxy-(1,1'-biphenyl)-4-ol
metacyc.compound:CPD-14666 metacycM:CPD-14666 KCKBEANTNJGRCV-UHFFFAOYSA-N	aucuparin 2,6-dimethoxy-4-phenylphenol 3,5-dimethoxy-(1,1'-biphenyl)-4-ol
keggC:M_C09918 seedM:M_cpd06808	secondary/obsolete/fantasy identifier