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

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The Swiss Initiative in Systems Biology

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(S)-tetrahydrocolumbamine

Properties
MNX_ID	MNXM1303
formula	C₂₀H₂₃NO₄
charge	0
mass	341.40096
reference	chebi:17772

Image of MNXM1303

InChIKey	KDFKJOFJHSVROC-INIZCTEOSA-N
InChI	InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
SMILES	COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	8
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources
Identifier	Description
seedM:cpd02545	Isocorypalmine (13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol (13aS)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H- Dibenzo[a,g]quinolizin-2-ol (S)-Tetrahydrocolumbamine (S)-tetrahydrocolumbamine 5, 8, 13, 13a-tetrahydrocolumbamine 5,8,13,13a-Tetrahydrocolumbamine S-tetrahydrocolumbamine isocorypalmine
keggC:C04118	Isocorypalmine (13aS)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol (S)-Tetrahydrocolumbamine 5,8,13,13a-Tetrahydrocolumbamine
chebi:17772	(S)-tetrahydrocolumbamine (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol (S)-Tetrahydrocolumbamine 5,8,13,13a-Tetrahydrocolumbamine Isocorypalmine
metacycM:S-TETRAHYDROCOLUMBAMINE	(S)-tetrahydrocolumbamine (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol 5,8,13,13a-tetrahydrocolumbamine isocorypalmine
sabiorkM:7093	5,8,13,13a-Tetrahydrocolumbamine (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H- Dibenzo[a,g]quinolizin-2-ol (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol (S)-Tetrahydrocolumbamine Isocorypalmine
chebi:11075 chebi:12085 chebi:18803 chebi:2008 keggC:M_C04118 seedM:M_cpd02545	secondary/obsolete/fantasy identifier