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(+)-Quebrachidine

PropertiesImage
MNX_IDMNXM114784 Image of MNXM114784
referencehmdb:HMDB0030390
formulaC21H24N2O3
global charge0
mol weight352.434
InChIKeyRLUORQGMBKDXPO-CFAUMIGUSA-N
InChIInChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1
SMILESC/C=C1/CN2[C@H]3CC45C6=CC=CC=C6NC4[C@@H]2CC1C3(C(=O)OC)[C@H]5O
MNX internals
InChI (mnx)InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1 Image of MNXM114784
SMILES (mnx)[CH3:1]/[CH:3]=[C:11]1/[CH2:10][N:23]2[C@H:15]3[CH2:8][CH:13]1[C:21]1([C:19](=[O:25])[O:26][CH3:2])[C@@H:16]2[CH2:9][C:20]2([C:12]4=[CH:6][CH:4]=[CH:5][CH:7]=[C:14]4[NH:22][CH:17]32)[C@@H:18]1[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0030390
RLUORQGMBKDXPO-CFAUMIGUSA-N 		(+)-Quebrachidine
2-(Cyanomethylene)-3-hydroxy-4,5-dimethoxycyclohexyl-beta-glucoside
2-Cyanomethylene-1-glucosyloxy-3-hydroxy-4,5-dimethoxycyclohexane
Methyl (10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylic acid
[6-(b-D-Glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]acetonitrile, 9ci
methyl (10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate

CHEBI:171889
chebi:171889
RLUORQGMBKDXPO-ZRDPMSSMSA-N 		(+)-Quebrachidine
methyl (10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

hmdb:HMDB30390 		secondary/obsolete/fantasy identifier