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Salsoline-1-carboxylate

PropertiesImage
MNX_IDMNXM81436 Image of MNXM81436
referencechebi:174215
formulaC12H15NO4
global charge0
mol weight237.255
InChIKeyCJEFWISJWQNPSZ-GFCCVEGCSA-N
InChIInChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1
SMILESCOC1=CC2=C(C=C1O)CCN[C@@]2(C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1 Image of MNXM81436
SMILES (mnx)[CH3:1][C@:12]1([C:11](=[O:15])[OH:16])[C:8]2=[CH:6][C:10]([O:17][CH3:2])=[C:9]([OH:14])[CH:5]=[C:7]2[CH2:3][CH2:4][NH:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174215
chebi:174215
CJEFWISJWQNPSZ-GFCCVEGCSA-N 		Salsoline-1-carboxylate
(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid

bigg.metabolite:CE5627
biggM:CE5627
CJEFWISJWQNPSZ-GFCCVEGCSA-N 		Salsoline-1-carboxylate
hmdb:HMDB0013067
CJEFWISJWQNPSZ-GFCCVEGCSA-N 		Salsoline-1-carboxylate
(1R)-6-Hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
(1R)-6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
1-Methyl-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SLN-1C
Salsoline-1-carboxylic acid

vmhM:CE5627
vmhmetabolite:CE5627
CJEFWISJWQNPSZ-GFCCVEGCSA-N 		salsoline-1-carboxylate
(1R)-6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

hmdb:HMDB13067
biggM:M_CE5627
vmhM:M_CE5627 		secondary/obsolete/fantasy identifier