Browse Metabolites / Pinellia ternata
A total of 1054 metabolites have been identified from Pinellia ternata. The detail information about materials and analytical conditions can be found in metadata.
ID
molecular formula
molecular weight
SMILES
Database
Mid000004
C8H12
108.18
C=CC1CCC=CC1
kegg_C19310
ID
molecular formula
molecular weight
SMILES
Database
Mid000009
C5H9NO2
115.13
C1CC(NC1)C(=O)O
kegg:NA
ID
molecular formula
molecular weight
SMILES
Database
Mid000010
C8H7N
117.15
C1=CC=C2C(=C1)C=CN2
kegg_C00463;CID_798;knapsack_C00001418
ID
molecular formula
molecular weight
SMILES
Database
Mid000012
C8H6O
118.13
C1=CC=C2C(=C1)C=CO2
kegg_C14512
ID
molecular formula
molecular weight
SMILES
Database
Mid000016
C9H12
120.19
CCC1=CC=CC=C1C
kegg_C14572
ID
molecular formula
molecular weight
SMILES
Database
Mid000017
C6H6N2O
122.12
C1=CC(=CN=C1)C(=O)N
CAS:98-92-0
ID
molecular formula
molecular weight
SMILES
Database
Mid000027
C8H19N
129.24
CCCCCCCCN
kegg_C01740;CID_8143
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
Mid000031
C9H8O
132.16
C1C(=O)CC2=CC=CC=C21
kegg_C07727;CID_11983