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

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acenaphthene-1,2-dione

	Properties	Image
MNX_ID	MNXM3892
reference	chebi:15342
formula	C₁₂H₆O₂
global charge	0
mol weight	182.178
InChIKey	AFPRJLBZLPBTPZ-UHFFFAOYSA-N
InChI	InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
SMILES	O=C1C(=O)C2=C3C(=CC=C2)C=CC=C13

MNX internals

InChI (mnx)	InChI=1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
SMILES (mnx)	[CH:1]1=[CH:3][C:7]2=[CH:4][CH:2]=[CH:6][C:9]3=[C:10]2[C:8](=[CH:5]1)[C:11](=[O:13])[C:12]3=[O:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15342 chebi:15342 AFPRJLBZLPBTPZ-UHFFFAOYSA-N	acenaphthene-1,2-dione 1,2-Diketoacenaphthene 1,2-acenaphthenedione 1,2-acenaphthenequinone 1,2-acenaphthylenedione ACENAPHTHENEQUINONE AcQ Acenaphthenequinone Acenaphthoquinone Aq acenaphthene quinone acenaphthodione acenaphthoquinone acenaphthylene-1,2-dione acenaphthylene-1,2-quinone acenaphthylenedione diketoacenaphthene
envipath:...4b9e1ceb06a4 envipathM:...4b9e1ceb06a4 AFPRJLBZLPBTPZ-UHFFFAOYSA-N	Acenaphthenequinone
sabiork.compound:6354 sabiorkM:6354 kegg.compound:C02807 keggC:C02807 AFPRJLBZLPBTPZ-UHFFFAOYSA-N	Acenaphthenequinone 1,2-Diketoacenaphthene Acenaphthoquinone
seed.compound:cpd01816 seedM:cpd01816 AFPRJLBZLPBTPZ-UHFFFAOYSA-N	Acenaphthoquinone 1,2-Diketoacenaphthene Acenaphthenequinone acenaphthenequinone
metacyc.compound:ACENAPHTHENEQUINONE metacycM:ACENAPHTHENEQUINONE AFPRJLBZLPBTPZ-UHFFFAOYSA-N	acenaphthenequinone
chebi:13702 chebi:22155 chebi:2381 chebi:40798 keggC:M_C02807 seedM:M_cpd01816	secondary/obsolete/fantasy identifier