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1-naphthoate

PropertiesImage
MNX_IDMNXM6044 Image of MNXM6044
referencechebi:36298
formulaC11H7O2
global charge-1
mol weight171.175
InChIKeyLNETULKMXZVUST-UHFFFAOYSA-M
InChIInChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)/p-1
SMILESO=C([O-])C1=C2C=CC=CC2=CC=C1
MNX internals
InChI (mnx)InChI=1/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) Image of MNXM6044
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:9]2[C:8](=[CH:4]1)[CH:5]=[CH:3][CH:7]=[C:10]2[C:11](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36298
chebi:36298
LNETULKMXZVUST-UHFFFAOYSA-M
1-naphthoate
1-naphthoate(1-)
naphthalene-1-carboxylate

envipath:...874d63203af6
envipathM:...874d63203af6
LNETULKMXZVUST-UHFFFAOYSA-M
1-Naphthoic acid

seed.compound:cpd09794
seedM:cpd09794
LNETULKMXZVUST-UHFFFAOYSA-M
1-Naphthoic acid
1-Carboxynaphthalene
1-naphthoate
1-naphthoic acid
alpha-Naphthoic acid

sabiork.compound:20665
sabiorkM:20665
kegg.compound:C14091
keggC:C14091
LNETULKMXZVUST-UHFFFAOYSA-N
1-Naphthoic acid
1-Carboxynaphthalene
alpha-Naphthoic acid
hmdb:HMDB0304016
LNETULKMXZVUST-UHFFFAOYSA-M
1-naphthoate
1-Naphthoate(1-)
1-Naphthoic acid
1-Naphthoic acid(1-)
naphthalene-1-carboxylate

metacyc.compound:CPD-7615
metacycM:CPD-7615
LNETULKMXZVUST-UHFFFAOYSA-M
1-naphthoate
1-naphthoic acid

envipath:...a5e0f3a17f7e
envipathM:...a5e0f3a17f7e
LNETULKMXZVUST-UHFFFAOYSA-N
1-naphthoic acid (M2)

envipath:...a4d1e11f61c3
envipathM:...a4d1e11f61c3
LNETULKMXZVUST-UHFFFAOYSA-N
1-naphthoic acid (M2)
Naphtoic acid (M1)

CHEBI:36466
chebi:36466
LNETULKMXZVUST-UHFFFAOYSA-N
1-naphthoic acid
1-Carboxynaphthalene
1-Naphthoic acid
1-naphthalenecarboxylic acid
alpha-Naphthoic acid
alpha-naphthoic acid
naphthalene-1-carboxylic acid

vmhM:anpt
vmhmetabolite:anpt
LNETULKMXZVUST-UHFFFAOYSA-N
alpha-Naphthoic acid

chebi:19072
chebi:19073
chebi:30901
chebi:34096
keggC:M_C14091
seedM:M_cpd09794
vmhM:M_anpt
secondary/obsolete/fantasy identifier