Browse Metabolites / Triticum aestivum
A total of 718 metabolites have been identified from Triticum aestivum. The detail information about materials and analytical conditions can be found in metadata.
ID
molecular formula
molecular weight
SMILES
Database
Mid000008
C6H11NO
113.16
C1CCC(=O)NCC1
kegg_C06593;CID_7768;knapsack_C00000318
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
Mid000013
C9H10
118.18
CC(=C)C1=CC=CC=C1
kegg_C14395
ID
molecular formula
molecular weight
SMILES
Database
Mid000020
C6H5NO2
123.11
C1=CN=CC=C1C(=O)O
CAS:55-22-1;KEGG:C07446;
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
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
Mid000037
C5H5N5
135.13
C1=NC2=NC=NC(=C2N1)N
CAS:73-24-5;KEGG:C00147;
ID
molecular formula
molecular weight
SMILES
Database
Mid000039
C8H8O2
136.15
CC1=CC(=CC(=C1)O)C=O
CID_12293123
ID
molecular formula
molecular weight
SMILES
Database
Mid000041
C7H7NO2
137.14
C[N+]1=CC=CC(=C1)C(=O)[O-]
CAS:535-83-1;KEGG:C01004;