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(S)-tetrahydrocolumbamine

PropertiesImage
MNX_IDMNXM1303 Image of MNXM1303
referencechebi:17772
formulaC20H23NO4
global charge0
mol weight341.407
InChIKeyKDFKJOFJHSVROC-INIZCTEOSA-N
InChIInChI=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
SMILESCOC1=CC2=C(C=C1O)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1303
SMILES (mnx)[CH3:1][O:23][C:18]1=[C:20]([O:25][CH3:3])[C:15]2=[C:12]([CH:4]=[CH:5]1)[CH2:8][C@H:16]1[C:14]3=[CH:10][C:17]([OH:22])=[C:19]([O:24][CH3:2])[CH:9]=[C:13]3[CH2:6][CH2:7][N:21]1[CH2:11]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17772
chebi:17772
KDFKJOFJHSVROC-INIZCTEOSA-N 		(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

metacyc.compound:S-TETRAHYDROCOLUMBAMINE
metacycM:S-TETRAHYDROCOLUMBAMINE
KDFKJOFJHSVROC-INIZCTEOSA-N 		(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

sabiork.compound:7093
sabiorkM:7093
KDFKJOFJHSVROC-INIZCTEOSA-N 		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

vmhM:icryplmn
vmhmetabolite:icryplmn
KDFKJOFJHSVROC-INIZCTEOSA-N 		Isocorypalmine

seed.compound:cpd02545
seedM:cpd02545
KDFKJOFJHSVROC-INIZCTEOSA-N 		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

kegg.compound:C04118
keggC:C04118
KDFKJOFJHSVROC-INIZCTEOSA-N 		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:11075
chebi:12085
chebi:18803
chebi:2008
keggC:M_C04118
seedM:M_cpd02545
vmhM:M_icryplmn 		secondary/obsolete/fantasy identifier