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

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cirsilineol

	Properties	Image
MNX_ID	MNXM46888
reference	chebi:3718
formula	C₁₈H₁₆O₇
global charge	0
mol weight	344.319
InChIKey	VKOSQMWSWLZQPA-UHFFFAOYSA-N
InChI	InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
SMILES	COC1=C(O)C=CC(C2=CC(=O)C3=C(O)C(OC)=C(OC)C=C3O2)=C1

MNX internals

InChI (mnx)	InChI=1/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
SMILES (mnx)	[CH3:1][O:22][C:13]1=[C:10]([OH:19])[CH:5]=[CH:4][C:9]([C:12]2=[CH:7][C:11](=[O:20])[C:16]3=[C:14]([CH:8]=[C:15]([O:23][CH3:2])[C:18]([O:24][CH3:3])=[C:17]3[OH:21])[O:25]2)=[CH:6]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:3718 chebi:3718 VKOSQMWSWLZQPA-UHFFFAOYSA-N	cirsilineol 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
kegg.compound:C10032 keggC:C10032 VKOSQMWSWLZQPA-UHFFFAOYSA-N	Cirsilineol
hmdb:HMDB0303612 VKOSQMWSWLZQPA-UHFFFAOYSA-N	Cirsilineol 4',5-Dihydroxy-3',6,7-trimethoxy-flavone 4',5-Dihydroxy-3',6,7-trimethoxyflavone 5,4'-Dihydroxy-6,7,3'-trimethoxyflavone 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one Anisomelin Eupatrin Fastigenin cirsilineol
lipidmaps:LMPK12111249 lipidmapsM:LMPK12111249 VKOSQMWSWLZQPA-UHFFFAOYSA-N	Cirsilineol 5,4'-Dihydroxy-6,7,3'-trimethoxyflavone Eupatrin
seed.compound:cpd06922 seedM:cpd06922 VKOSQMWSWLZQPA-UHFFFAOYSA-M	Cirsilineol 5,4'-dihydroxy-6,7,3'-trimethoxyflavone 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one anisomelin cirsilineol eupatrin fastigenin
metacyc.compound:CPD-15483 metacycM:CPD-15483 VKOSQMWSWLZQPA-UHFFFAOYSA-N	cirsilineol 5,4'-dihydroxy-6,7,3'-trimethoxyflavone 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one anisomelin eupatrin fastigenin
keggC:M_C10032 seedM:M_cpd06922	secondary/obsolete/fantasy identifier