Browse Metabolites / cassava (Manihot esculenta Crantz)
A total of 856 metabolites have been identified from cassava (Manihot esculenta Crantz)
ID
molecular formula
molecular weight
SMILES
Database
Mid0002
C7H7NO2
137.14
C[N+]1=CC=CC(=C1)C(=O)[O-]
CAS:535-83-1;KEGG:C01004;
ID
molecular formula
molecular weight
SMILES
Database
Mid0009
C19H18O4
310.3
CC1C2C3C4C5C1(CCC6=CC(=O)C=C(C(=C56)C4O2)C)C(=O)O3
knapsack_C00000322
ID
molecular formula
molecular weight
SMILES
Database
Mid0017
C17H23NO3
289.4
CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
kegg_C09224;knapsack_C00001749
ID
molecular formula
molecular weight
SMILES
Database
Mid0019
C11H19NO
181.1466642
C1CC[C@@H]2[C@H]3[C@@H]1CCCN3COC2
knapsack_C00026359
ID
molecular formula
molecular weight
SMILES
Database
Mid0029
C8H15NO4
189.21
C1CC(C2C(C(C[N+]2(C1)[O-])O)O)O
knapsack_C00037870
ID
molecular formula
molecular weight
SMILES
Database
Mid0030
C18H35NO2
297.5
CC1C(CCC(N1)CCCCCCCCCCC(=O)C)O
kegg_C10136;knapsack_C00002027
ID
molecular formula
molecular weight
SMILES
Database
Mid0031
C20H29NO2
315.4
CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4(CC4)O
kegg_C11791
ID
molecular formula
molecular weight
SMILES
Database
Mid0032
C26H26N2
366.5
CC1=CC2C(C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)C(C1)(C)C
knapsack_C00000490
ID
molecular formula
molecular weight
SMILES
Database
Mid0033
C22H25NO5S
415.5
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
knapsack_C00032352
ID
molecular formula
molecular weight
SMILES
Database
Mid0034
C44H50N8
690.9
CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=C(C=CC=C89)C12CCN(C1NC1=CC=CC=C21)C)C
knapsack_C00001760