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

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(1S,2R)-naphthalene 1,2-oxide

	Properties	Image
MNX_ID	MNXM2885
reference	chebi:34001
formula	C₁₀H₈O
global charge	0
mol weight	144.173
InChIKey	XQIJIALOJPIKGX-ZJUUUORDSA-N
InChI	InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1
SMILES	C1=CC=C2C(=C1)C=C[C@H]1O[C@@H]21

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+/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][C@@H:9]1[C@H:10]2[O:11]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34001 chebi:34001 XQIJIALOJPIKGX-ZJUUUORDSA-N	(1S,2R)-naphthalene 1,2-oxide (-)-(1S,2R)-naphthalene 1,2-oxide (1S,2R)-1,2-dihydro-1,2-epoxynaphthalene (1S,2R)-1,2-epoxy-1,2-dihydronaphthalene (1S,2R)-naphthalene epoxide (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene (1aR,7bS)-1aH,7bH-naphtho[1,2-b]oxirene
vmhM:M00034 vmhmetabolite:M00034 XQIJIALOJPIKGX-ZJUUUORDSA-N	(1S,2R)-Naphthalene 1,2-Oxide (1aS,7aR)-1aH,7aH-naphtho[1,2-b]oxirene
kegg.compound:C14787 keggC:C14787 XQIJIALOJPIKGX-ZJUUUORDSA-N	(1S,2R)-Naphthalene 1,2-oxide (1S,2R)-Naphthalene epoxide
hmdb:HMDB0060301 XQIJIALOJPIKGX-ZJUUUORDSA-N	(1S,2R)-Naphthalene 1,2-oxide (1S,2R)-Naphthalene epoxide (1aS,7aR)-1aH,7aH-naphtho[1,2-b]oxirene
seed.compound:cpd10484 seedM:cpd10484 XQIJIALOJPIKGX-ZJUUUORDSA-N	(1S,2R)-Naphthalene epoxide (1S,2R)-Naphthalene 1,2-oxide
hmdb:HMDB60301 keggC:M_C14787 seedM:M_cpd10484 vmhM:M_M00034	secondary/obsolete/fantasy identifier