MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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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	COC1=C(OC)C=C2C(=C1)CCN1CC3=C(C=CC(OC)=C3OC)[C@H](C)[C@H]21

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

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