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corydaline

Properties Image MNX_ID MNXM4533 reference chebi:14027 formula C22H27NO4 global charge 0 mol weight 369.461 InChIKey VRSRXLJTYQVOHC-YEJXKQKISA-N InChI InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1 SMILES COc1cc2c(cc1OC)[C@H]1[C@@H](C)c3ccc(OC)c(OC)c3CN1CC2 MNX internals InChI (mnx) InChI=1/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1 SMILES (mnx) [c:1]12[c:2]([cH:4][c:6]([CH2:20][CH3:22])[c:5]([CH2:19][CH3:21])[cH:3]1)[C@@H:10]1[CH:8]([CH2:7][CH2:9]2)[CH2:11][c:12]2[c:13]([cH:17][cH:18][c:16]([O:26][OH:27])[c:15]2[O:24][OH:25])[C@H:14]1[NH2:23]

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

Identifier	Description
CHEBI:14027 chebi:14027 VRSRXLJTYQVOHC-YEJXKQKISA-N	corydaline (+)-Corydaline (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine
kegg.compound:C15530 keggC:C15530 VRSRXLJTYQVOHC-YEJXKQKISA-N	Corydaline (+)-Corydaline
seed.compound:cpd11207 seedM:cpd11207 VRSRXLJTYQVOHC-YEJXKQKISA-N	Corydaline (+)-Corydaline corydaline
metacyc.compound:CORYDALINE metacycM:CORYDALINE VRSRXLJTYQVOHC-YEJXKQKISA-N	corydaline
keggC:M_C15530 seedM:M_cpd11207	secondary/obsolete/fantasy identifier