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(6S)-hydroxyhyoscyamine

PropertiesImage
MNX_IDMNXM1106051 Image of MNXM1106051
referencemetacycM:CPD-2202
formulaC17H24NO4
global charge1
mol weight306.382
InChIKeyWTQYWNWRJNXDEG-RBZJEDDUSA-O
InChIInChI=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
SMILESC[NH+]1[C@H]2C[C@H](OC(=O)[C@H](CO)C3=CC=CC=C3)C[C@@H]1[C@@H](O)C2
MNX internals
InChI (mnx)InChI=1/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/t12-,13-,14+,15+,16-/m0/s1 Image of MNXM1106051
SMILES (mnx)[CH3:1][N:18]1[C@H:12]2[CH2:7][C@H:13]([O:22][C:17]([C@H:14]([CH2:10][OH:19])[C:11]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)=[O:21])[CH2:9][C@@H:15]1[C@@H:16]([OH:20])[CH2:8]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-2202
metacycM:CPD-2202
WTQYWNWRJNXDEG-RBZJEDDUSA-O 		(6S)-hydroxyhyoscyamine
(6S)-6-hydroxyhyoscyamine
anisodamine

CHEBI:15645
chebi:15645
WTQYWNWRJNXDEG-VXUTWAGNSA-N 		(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
WTQYWNWRJNXDEG-VXUTWAGNSA-O 		(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
WTQYWNWRJNXDEG-VXUTWAGNSA-N 		(6S)-Hydroxyhyoscyamine
(6S)-6-Hydroxyhyoscyamine

seed.compound:cpd02114
seedM:cpd02114
WTQYWNWRJNXDEG-RBZJEDDUSA-O 		(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