Browse Metabolites / Bassia scoparia
A total of 1043 metabolites have been identified from Bassia scoparia. The detail information about materials and analytical conditions can be found in metadata.
ID
molecular formula
molecular weight
SMILES
Database
Mid000001
C5H13NO
104.17
C[N+](C)(C)CCO
CAS:62-49-7;KEGG:C00114;
ID
molecular formula
molecular weight
SMILES
Database
Mid000004
C8H12
108.18
C=CC1CCC=CC1
kegg_C19310
ID
molecular formula
molecular weight
SMILES
Database
Mid000007
C4H5N3O
111.1
C1=C(NC(=O)N=C1)N
CAS:71-30-7;KEGG:C00380;
ID
molecular formula
molecular weight
SMILES
Database
Mid000013
C9H10
118.18
CC(=C)C1=CC=CC=C1
kegg_C14395
ID
molecular formula
molecular weight
SMILES
Database
Mid000025
C9H7N
129.16
C1=CC=C2C(=C1)C=CC=N2
kegg_C06413;knapsack_C00026478
ID
molecular formula
molecular weight
SMILES
Database
Mid000028
C9H9N
131.17
CC1=CC2=C(C=C1)C=CN2
knapsack_C00050748
ID
molecular formula
molecular weight
SMILES
Database
Mid000029
C6H13NO2
131.17
CCC(C)C(C(=O)O)N
kegg:NA
ID
molecular formula
molecular weight
SMILES
Database
Mid000030
C5H8O2S
132.18
C1CC(SC1)C(=O)O
kegg_C11074
ID
molecular formula
molecular weight
SMILES
Database
Mid000032
C10H12
132.2
CC1=CC=C(C=C1)C(=C)C
knapsack_C00010905
ID
molecular formula
molecular weight
SMILES
Database
Mid000033
C10H12
132.2
C1CCC2=CC=CC=C2C1
kegg_C14114;CID_8404