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alpha-berbine

PropertiesImage
MNX_IDMNXM7109 Image of MNXM7109
referencechebi:50400
formulaC17H17N
global charge0
mol weight235.33
InChIKeyBRLDZKPJJNASGG-KRWDZBQOSA-N
InChIInChI=1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1
SMILESC1=CC2=C(C=C1)CN1CCC3=C(C=CC=C3)[C@@H]1C2
MNX internals
InChI (mnx)InChI=1/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1 Image of MNXM7109
SMILES (mnx)[CH:1]1=[CH:2][CH:7]=[C:15]2[CH2:12][N:18]3[CH2:10][CH2:9][C:13]4=[CH:5][CH:3]=[CH:4][CH:8]=[C:16]4[C@@H:17]3[CH2:11][C:14]2=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50400
chebi:50400
BRLDZKPJJNASGG-KRWDZBQOSA-N 		alpha-berbine
(S)-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine
(S)-7,8,13,14-Tetrahydroprotoberberine
(S)-Tetrahydroprotoberberine
13aalpha-berbine
berbine

kegg.compound:C05204
keggC:C05204
BRLDZKPJJNASGG-KRWDZBQOSA-N 		(S)-Tetrahydroprotoberberine
(-)-Berbine
(S)-7,8,13,14-Tetrahydroprotoberberine

kegg.compound:C22684
keggC:C22684
BRLDZKPJJNASGG-KRWDZBQOSA-N 		(S)-Tetrahydroprotoberberine
(S)-7,8,13,14-Tetrahydroprotoberberine

seed.compound:cpd03096
seedM:cpd03096
BRLDZKPJJNASGG-KRWDZBQOSA-O 		(S)-Tetrahydroprotoberberine
(S)-7,8,13,14-Tetrahydroprotoberberine
(S)-7,8,13,14-tetrahydroprotoberberine
(S)-tetrahydroprotoberberine

metacyc.compound:S-781314-TETRAHYDROPROTOBERBERINE
metacycM:S-781314-TETRAHYDROPROTOBERBERINE
BRLDZKPJJNASGG-KRWDZBQOSA-O 		alpha-berbine
(S)-7,8,13,14-tetrahydroprotoberberine
(S)-tetrahydroprotoberberine

chebi:11055
chebi:18764
chebi:35612
chebi:411
keggC:M_C05204
keggC:M_C22684
seedM:M_cpd03096 		secondary/obsolete/fantasy identifier