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

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naphthalene 1,2-oxide

	Properties	Image
MNX_ID	MNXM12425
reference	chebi:52431
formula	C₁₀H₈O
global charge	0
mol weight	144.173
InChIKey	XQIJIALOJPIKGX-UHFFFAOYSA-N
InChI	InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H
SMILES	C1=CC=C2C(=C1)C=CC1OC21

MNX internals

InChI (mnx)	InChI=1/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9?,10?
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][CH:9]1[CH:10]2[O:11]1

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:52431 chebi:52431 XQIJIALOJPIKGX-UHFFFAOYSA-N	naphthalene 1,2-oxide 1,2-Epoxy-1,2-dihydro-naphthalene 1,2-Epoxy-1,2-dihydronaphthalene 1a,7b-dihydronaphtho[1,2-b]oxirene Naphthalene-1,2-oxide naphthalene 1,2-epoxide
seed.compound:cpd34170 seedM:cpd34170 XQIJIALOJPIKGX-UHFFFAOYSA-N	1,2-epoxy-1,2-dihydronaphthalene naphthalene 1,2-epoxide naphthalene 1,2-oxide
bigg.metabolite:onpthl biggM:onpthl XQIJIALOJPIKGX-UHFFFAOYSA-N	Naphthalene epoxide
hmdb:HMDB0006215 XQIJIALOJPIKGX-UHFFFAOYSA-N	Naphthalene epoxide (1R,2S)-Naphthalene 1,2-oxide (1R,2S)-Naphthalene epoxide (1S,2R)-Naphthalene epoxide 1,2-Epoxy-1,2-dihydro-naphthalene 1,2-Epoxy-1,2-dihydronaphthalene 1aH,7bH-naphtho[1,2-b]oxirene Naphthalene 1,2-epoxide Naphthalene oxide Naphthalene-1,2-oxide naphthalene 1,2-oxide
metacyc.compound:CPD-20311 metacycM:CPD-20311 XQIJIALOJPIKGX-UHFFFAOYSA-N	naphthalene 1,2-oxide 1,2-epoxy-1,2-dihydronaphthalene naphthalene 1,2-epoxide
hmdb:HMDB06215 biggM:M_onpthl seedM:M_cpd34170	secondary/obsolete/fantasy identifier