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

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naphthalene-1,4-diol

	Properties	Image
MNX_ID	MNXM6355
reference	chebi:34063
formula	C₁₀H₈O₂
global charge	0
mol weight	160.172
InChIKey	PCILLCXFKWDRMK-UHFFFAOYSA-N
InChI	InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
SMILES	OC1=CC=C(O)C2=CC=CC=C12

MNX internals

InChI (mnx)	InChI=1/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[C:9]([OH:11])=[CH:5][CH:6]=[C:10]2[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34063 chebi:34063 PCILLCXFKWDRMK-UHFFFAOYSA-N	naphthalene-1,4-diol 1,4-Dihydroxynaphthalene 1,4-Naphthohydroquinone 1,4-naphthalenediol Naphthalene-1,4-diol
envipath:...d9987153cd68 envipathM:...d9987153cd68 vmhM:M00250 vmhmetabolite:M00250 PCILLCXFKWDRMK-UHFFFAOYSA-N	1,4-Dihydroxynaphthalene
hmdb:HMDB0255445 PCILLCXFKWDRMK-UHFFFAOYSA-N	1,4-Dihydroxynaphthalene 1,4-Naphthalenediol 1,4-Naphthohydroquinone 1,4-dihydroxynaphthalene naphthalene-1,4-diol
kegg.compound:C14785 keggC:C14785 PCILLCXFKWDRMK-UHFFFAOYSA-N	1,4-Dihydroxynaphthalene 1,4-Naphthohydroquinone Naphthalene-1,4-diol
envipath:...7d9efb028cb2 envipathM:...7d9efb028cb2 PCILLCXFKWDRMK-UHFFFAOYSA-N	1,4-Dihydroxynaphthalene DHN
sabiork.compound:25759 sabiorkM:25759 PCILLCXFKWDRMK-UHFFFAOYSA-N	Hydronaphthoquinone
seed.compound:cpd10482 seedM:cpd10482 PCILLCXFKWDRMK-UHFFFAOYSA-N	Naphthalene-1,4-diol 1,4-Dihydroxynaphthalene 1,4-Naphthohydroquinone
keggC:M_C14785 seedM:M_cpd10482 vmhM:M_M00250	secondary/obsolete/fantasy identifier