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L-hyoscyamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM2759

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₇H₂₄NO₃

charge

mass

290.17507

reference

chebi:58164

InChIKey

RKUNBYITZUJHSG-FXUDXRNXSA-O

InChI

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1

SMILES

C[NH+]1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58164 chebi:58164	L-hyoscyamine (3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate (S)-atropinium (S)-atropinium cation (S)-atropinium(1+)
CHEBI:17486 chebi:17486	(S)-atropine (-)-atropine (-)-hyoscyamine (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate (S)-(-)-hyoscyamine Daturine Duboisine L-Hyoscyamine L-Tropine tropate [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hyoscyamine l-hyoscyamine tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate tropine, (-)-tropate
metacyc.compound:L-HYOSCYAMINE metacycM:L-HYOSCYAMINE	(S)-atropine (S)-atropinium L-hyoscyamine L-tropine tropate daturine duboisine
seed.compound:cpd01396 seedM:cpd01396	Daturine (S)-atropinium Duboisine L-Hyoscyamine L-Tropine tropate L-hyoscyamine L-tropine tropate daturine duboisine
kegg.drug:D00147 keggD:D00147	Hyoscyamine (USP)
hmdb:HMDB0014568	Hyoscyamine (-)-Atropine (-)-Hyoscyamine (1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate (Leo)-atropine (Leo)-hyoscyamine (S)-(-)-Hyoscyamine (S)-(Leo)-hyoscyamine (S)Atropine Daturine Duboisine Hyocyamine L-Atropine L-Hyopscyamine L-Hyoscamine L-Hyoscyamine L-Tropine tropate L-Tropine tropic acid L-hyoscyamine Tropine, (-)-tropate Tropine, (-)-tropic acid [3(S)-endo]-a-(Hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [3(S)-endo]-alpha-(Hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [3(S)-endo]-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
sabiork.compound:5962 sabiorkM:5962 kegg.compound:C02046 keggC:C02046	L-Hyoscyamine Daturine Duboisine L-Tropine tropate
hmdb:HMDB14568 chebi:13124 chebi:21331 chebi:44734 chebi:6247 keggC:M_C02046 keggD:M_D00147 seedM:M_cpd01396	secondary/obsolete/fantasy identifier