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

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Limocitrin

	Properties	Image
MNX_ID	MNXM149058
reference	chebi:168450
formula	C₁₇H₁₄O₈
global charge	0
mol weight	346.291
InChIKey	IBXCKSUZOFKGSB-UHFFFAOYSA-N
InChI	InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
SMILES	COC1=C(O)C=CC(C2=C(O)C(=O)C3=C(O2)C(OC)=C(O)C=C3O)=C1

MNX internals

InChI (mnx)	InChI=1/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
SMILES (mnx)	[CH3:1][O:23][C:11]1=[C:8]([OH:18])[CH:4]=[CH:3][C:7]([C:15]2=[C:14]([OH:22])[C:13](=[O:21])[C:12]3=[C:17]([C:16]([O:24][CH3:2])=[C:10]([OH:20])[CH:6]=[C:9]3[OH:19])[O:25]2)=[CH:5]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:168450 chebi:168450 IBXCKSUZOFKGSB-UHFFFAOYSA-N	Limocitrin 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one
seed.compound:cpd34799 seedM:cpd34799 IBXCKSUZOFKGSB-UHFFFAOYSA-L	4',5,7-trihydroxy-3',8-dimethoxyflavonol gossypetin 3',8-dimethyl ether limocitrin
lipidmaps:LMPK12113241 lipidmapsM:LMPK12113241 IBXCKSUZOFKGSB-UHFFFAOYSA-N	Limocitrin
hmdb:HMDB0029516 IBXCKSUZOFKGSB-UHFFFAOYSA-N	Limocitrin 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one, 9ci 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-chromen-4-one 4',5,7-Trihydroxy-3',8-dimethoxyflavonol Gossypetin 3',8-dimethyl ether Sedoflorigenin limocitrin
metacyc.compound:CPD-16777 metacycM:CPD-16777 IBXCKSUZOFKGSB-UHFFFAOYSA-M	gossypetin 3',8-dimethyl ether 4',5,7-trihydroxy-3',8-dimethoxyflavonol limocitrin
hmdb:HMDB29516 seedM:M_cpd34799	secondary/obsolete/fantasy identifier