RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0137350
RefMet name	C-Curarine
Systematic name	4-[(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)methyl]phenol
Synonyms	PubChem Synonyms
Exact mass	596.351512 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C40H44N4O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	70222 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30 )41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27?,28?,35?,36? ,37-,38-,39-,40-,43+,44+/m1/s1
InChIKey	DWELRYDMYVJVSL-KMZDILGASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C/C=C\1/C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6C7CC8[C@@]9(CC[N@@+]8(C)C/C/7=C/C)c7ccccc7N7C=C(C1CC23)[C@@]45O[C@]697 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Strychnos alkaloids
Distribution of C-Curarine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting C-Curarine
External Links
Pubchem CID	118701520
ChEBI ID	3253
KEGG ID	C09144
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)