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

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2,4,6-trihydroxybenzophenone

	Properties	Image
MNX_ID	MNXM34486
reference	chebi:77765
formula	C₁₃H₉O₄
global charge	-1
mol weight	229.211
InChIKey	CPEXFJVZFNYXGU-UHFFFAOYSA-M
InChI	InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H/p-1
SMILES	O=C(C1=CC=CC=C1)C1=C(O)C=C(O)C=C1[O-]

MNX internals

InChI (mnx)	InChI=1/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([C:13]([C:12]2=[C:10]([OH:15])[CH:6]=[C:9]([OH:14])[CH:7]=[C:11]2[OH:16])=[O:17])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77765 chebi:77765 CPEXFJVZFNYXGU-UHFFFAOYSA-M	2,4,6-trihydroxybenzophenone 2,4,6-trihydroxybenzophenone(1-) 2-benzoyl-3,5-dihydroxyphenolate
sabiork.compound:8574 sabiorkM:8574 CPEXFJVZFNYXGU-UHFFFAOYSA-N	2,4,6-Trihydroxybenzophenone
seed.compound:cpd03797 seedM:cpd03797 CPEXFJVZFNYXGU-UHFFFAOYSA-N	2,4,6-Trihydroxybenzophenone 2,4,6-trihydroxybenzophenone 2-phenyl-2',4',6'-trihydroxyacetophenone Phenyl(2,4,6-trihydroxyphenyl)-methanone phenyl(2,4,6-trihydroxyphenyl)-methanone phlorobenzophenone
kegg.compound:C06356 keggC:C06356 CPEXFJVZFNYXGU-UHFFFAOYSA-N	2,4,6-Trihydroxybenzophenone Phenyl(2,4,6-trihydroxyphenyl)-methanone
CHEBI:28233 chebi:28233 CPEXFJVZFNYXGU-UHFFFAOYSA-N	2,4,6-trihydroxybenzophenone 2,4,6-Trihydroxybenzophenone phenyl(2,4,6-trihydroxyphenyl)methanone
metacyc.compound:CPD-6881 metacycM:CPD-6881 CPEXFJVZFNYXGU-UHFFFAOYSA-N	2,4,6-trihydroxybenzophenone 2-phenyl-2',4',6'-trihydroxyacetophenone phenyl(2,4,6-trihydroxyphenyl)-methanone phlorobenzophenone
envipath:...b9112abfbc6d envipathM:...b9112abfbc6d CPEXFJVZFNYXGU-UHFFFAOYSA-N	compound 0063539
chebi:19335 chebi:899 keggC:M_C06356 seedM:M_cpd03797	secondary/obsolete/fantasy identifier