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(6S)-hydroxyhyoscyamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106051

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

formula

C₁₇H₂₄NO₄

charge

mass

306.16998

reference

InChIKey

WTQYWNWRJNXDEG-RBZJEDDUSA-O

InChI

InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/p+1/t12-,13-,14+,15+,16-/m0/s1

SMILES

C[NH+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-2202 metacycM:CPD-2202	(6S)-hydroxyhyoscyamine (6S)-6-hydroxyhyoscyamine anisodamine
CHEBI:15645 chebi:15645	(6S)-6-hydroxyhyoscyamine (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate (3S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate (6S)-6-Hydroxyhyoscyamine (6S)-Hydroxyhyoscyamine (6S)-hydroxyhyoscyamine
CHEBI:57459 chebi:57459	(6S)-6-hydroxyhyoscyamine (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl tropate (6S)-6-hydroxyhyoscyaminium (6S)-6-hydroxyhyoscyaminium cation
sabiork.compound:6552 sabiorkM:6552	(6S)-Hydroxyhyoscyamine (6S)-6-Hydroxyhyoscyamine
seed.compound:cpd02114 seedM:cpd02114	(6S)-Hydroxyhyoscyamine (6S)-6-Hydroxyhyoscyamine (6S)-6-hydroxyhyoscyamine (6S)-hydroxyhyoscyamine
chebi:10929 chebi:10930 chebi:18611 chebi:258 seedM:M_cpd02114	secondary/obsolete/fantasy identifier