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

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chrysophanol

	Properties	Image
MNX_ID	MNXM16699
reference	chebi:3687
formula	C₁₅H₁₀O₄
global charge	0
mol weight	254.241
InChIKey	LQGUBLBATBMXHT-UHFFFAOYSA-N
InChI	InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
SMILES	CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:6][C:11]([OH:17])=[C:13]2[C:9](=[CH:5]1)[C:14](=[O:18])[C:8]1=[C:12]([C:10]([OH:16])=[CH:4][CH:2]=[CH:3]1)[C:15]2=[O:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3687 chebi:3687 LQGUBLBATBMXHT-UHFFFAOYSA-N	chrysophanol 1,8-Dihydroxy-3-methylanthraquinone 1,8-dihydroxy-3-methyl-9,10-anthracenedione 1,8-dihydroxy-3-methyl-9,10-anthraquinone 3-methylchrysazin Chrysophanic acid Chrysophanol Chrysophansaeure
hmdb:HMDB0030670 LQGUBLBATBMXHT-UHFFFAOYSA-N	Chrysophanol 1,8-Dihydroxy-3-methyl-9,10-anthracenedione 1,8-Dihydroxy-3-methyl-9,10-anthracenedione, 9ci 1,8-Dihydroxy-3-methyl-9,10-anthraquinone 1,8-Dihydroxy-3-methyl-anthraquinone 1,8-Dihydroxy-3-methylanthra-9,10-quinone 1,8-Dihydroxy-3-methylanthraquinone 1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione 2-Methyl-4,5-dihydroxyanthraquinone 3-Methyl-1, 8-dihydroxyanthraquinone 3-Methyl-1,8-dihydroxyanthraquinone 3-Methylchrysazin 4, 5-Dihydroxy-2-methylanthraquinone 4,5-Dihydroxy-2-methylanthraquinone 9,10-Anthracenedione, 1,8-dihydroxy-3-methyl- (9ci) Archinin C.I. natural yellow 23 Chrysophanate Chrysophanic acid Chrysophanic acid (1,8-dihydroxy-3-methylanthraquinone) Chrysophanic acid, ion (1-) Chrysophansaeure Crysophanic acid Crysophanol Rheic acid Rumicin Turkey rhubarb turkey rhubarb
seed.compound:cpd07204 seedM:cpd07204 LQGUBLBATBMXHT-UHFFFAOYSA-N	Chrysophanol 1,8-Dihydroxy-3-methylanthraquinone 1,8-dihydroxy-3-methyl-9,10-anthracenedione 1,8-dihydroxy-3-methyl-9,10-anthraquinone 1,8-dihydroxy-3-methylanthraquinone 4,5-dihydroxy-2-methylanthraquinone Chrysophanic acid chrysophanic acid chrysophanol
kegg.compound:C10315 keggC:C10315 LQGUBLBATBMXHT-UHFFFAOYSA-N	Chrysophanol 1,8-Dihydroxy-3-methylanthraquinone Chrysophanic acid
lipidmaps:LMPK13040006 lipidmapsM:LMPK13040006 LQGUBLBATBMXHT-UHFFFAOYSA-N	Chrysophanol 1,8-dihydroxy-3-methyl-9,10-anthracenedione Chrysophanic Acid Turkey Rhubarb
metacyc.compound:CPD-8216 metacycM:CPD-8216 LQGUBLBATBMXHT-UHFFFAOYSA-N	chrysophanol 1,8-dihydroxy-3-methyl-9,10-anthracenedione 1,8-dihydroxy-3-methyl-9,10-anthraquinone 1,8-dihydroxy-3-methylanthraquinone 4,5-dihydroxy-2-methylanthraquinone chrysophanic acid
hmdb:HMDB30670 keggC:M_C10315 seedM:M_cpd07204	secondary/obsolete/fantasy identifier