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

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juglone

	Properties	Image
MNX_ID	MNXM3626
reference	chebi:15794
formula	C₁₀H₆O₃
global charge	0
mol weight	174.155
InChIKey	KQPYUDDGWXQXHS-UHFFFAOYSA-N
InChI	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
SMILES	O=C1C=CC(=O)C2=C(O)C=CC=C12

MNX internals

InChI (mnx)	InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
SMILES (mnx)	[CH:1]1=[CH:2][C:6]2=[C:10]([C:8]([OH:12])=[CH:3]1)[C:9](=[O:13])[CH:5]=[CH:4][C:7]2=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15794 chebi:15794 KQPYUDDGWXQXHS-UHFFFAOYSA-N	juglone 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthalenedione 5-hydroxy-1,4-naphthoquinone 8-hydroxy-1,4-naphthoquinone Juglone
sabiork.compound:6885 sabiorkM:6885 KQPYUDDGWXQXHS-UHFFFAOYSA-N	5-Hydroxy-1,4-naphthoquinone Juglone
seed.compound:cpd28765 seedM:cpd28765	5-hydroxy-1,4-naphthoquinone juglone
hmdb:HMDB0030773 KQPYUDDGWXQXHS-UHFFFAOYSA-N	Juglone -Hydroxy-1,4-naphthalenedione 5-Hydroxy-1,4-naphthalenedione 5-Hydroxy-1,4-naphthalenedione, 9ci 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-dihydronaphthalene-1,4-dione 8-Hydroxy-1,4-naphthalenedione 8-Hydroxy-1,4-naphthoquinone Antibiotic PD7 C.I. natural brown 7 CI 75500 Lawsone Nucin PD7 Regianin walnut extract
kegg.compound:C03840 keggC:C03840 KQPYUDDGWXQXHS-UHFFFAOYSA-N	Juglone 5-Hydroxy-1,4-naphthoquinone
seed.compound:cpd02395 seedM:cpd02395 KQPYUDDGWXQXHS-UHFFFAOYSA-N	Juglone 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthoquinone juglone
envipath:...626b3fda3fe0 envipathM:...626b3fda3fe0 KQPYUDDGWXQXHS-UHFFFAOYSA-N	compound 0057148
metacyc.compound:HYDROXYNAPHTHOQUINONE metacycM:HYDROXYNAPHTHOQUINONE KQPYUDDGWXQXHS-UHFFFAOYSA-N	juglone 5-hydroxy-1,4-naphthoquinone
hmdb:HMDB30773 chebi:12130 chebi:20574 chebi:2062 keggC:M_C03840 seedM:M_cpd02395 seedM:M_cpd28765	secondary/obsolete/fantasy identifier