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

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chrysosplenetin

	Properties	Image
MNX_ID	MNXM14488
reference	chebi:3689
formula	C₁₉H₁₈O₈
global charge	0
mol weight	374.345
InChIKey	NBVTYGIYKCPHQN-UHFFFAOYSA-N
InChI	InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILES	COC1=CC2=C(C(=O)C(OC)=C(C3=CC(OC)=C(O)C=C3)O2)C(O)=C1OC

MNX internals

InChI (mnx)	InChI=1/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILES (mnx)	[CH3:1][O:23][C:11]1=[C:10]([OH:20])[CH:6]=[CH:5][C:9]([C:17]2=[C:19]([O:26][CH3:4])[C:16](=[O:22])[C:14]3=[C:15]([OH:21])[C:18]([O:25][CH3:3])=[C:13]([O:24][CH3:2])[CH:8]=[C:12]3[O:27]2)=[CH:7]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:3689 chebi:3689 NBVTYGIYKCPHQN-UHFFFAOYSA-N	chrysosplenetin 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one Chrysosplenetin B Quercetagetin 3,6,7,3'-tetramethyl ether
metacyc.compound:CPD-10529 metacycM:CPD-10529 NBVTYGIYKCPHQN-UHFFFAOYSA-N	3,6,7,3'-tetramethylquercetagetin 3,6,7,3'-tetra-methylquercetagetin chrysosplenetin chrysosplenetin B
seed.compound:cpd06920 seedM:cpd06920 NBVTYGIYKCPHQN-UHFFFAOYSA-N	Chrysosplenetin 3,6,7,3'-tetra-methylquercetagetin 3,6,7,3'-tetramethylquercetagetin Chrysosplenetin B Quercetagetin 3,6,7,3'-tetramethyl ether chrysosplenetin chrysosplenetin B
lipidmaps:LMPK12113009 lipidmapsM:LMPK12113009 NBVTYGIYKCPHQN-UHFFFAOYSA-N	Chrysosplenetin 5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone Quercetagetin 3,6,7,3'-tetramethyl ether
hmdb:HMDB0250217 NBVTYGIYKCPHQN-UHFFFAOYSA-N	Chrysosplenetin 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one Chrysosplenetin b Quercetagetin 3,6,7,3'-tetramethyl ether chrysosplenetin
kegg.compound:C10030 keggC:C10030 NBVTYGIYKCPHQN-UHFFFAOYSA-N	Chrysosplenetin Chrysosplenetin B Quercetagetin 3,6,7,3'-tetramethyl ether
keggC:M_C10030 seedM:M_cpd06920	secondary/obsolete/fantasy identifier