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corydaline

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM4533

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₂₇NO₄

charge

mass

369.461

reference

chebi:14027

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

[CH3:1][C@H:13]1[c:15]2[cH:6][cH:7][c:18]([O:24][CH3:2])[c:22]([O:27][CH3:5])[c:17]2[CH2:12][N:23]2[CH2:9][CH2:8][c:14]3[cH:10][c:19]([O:25][CH3:3])[c:20]([O:26][CH3:4])[cH:11][c:16]3[C@@H:21]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:14027 chebi:14027	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	Corydaline (+)-Corydaline
seed.compound:cpd11207 seedM:cpd11207	Corydaline (+)-Corydaline corydaline
hmdb:HMDB0250473	Corydalin 2,3,9,10-Tetramethoxy-13a-methyl-13ab-berbine 3,4,10,11-tetramethoxy-13-methyl-7,8,12b,13-tetrahydro-5H-6-azatetraphene Corydaline D-Corydaline
metacyc.compound:CORYDALINE metacycM:CORYDALINE	corydaline
keggC:M_C15530 seedM:M_cpd11207	secondary/obsolete/fantasy identifier