Browse Metabolites / Coffea arabica
A total of 987 metabolites have been identified from Coffea arabica. 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
Mid000003
C7H8O
108.14
CC1=CC=CC=C1O
kegg_C01542;CID_335;knapsack_C00030878
ID
molecular formula
molecular weight
SMILES
Database
Mid000004
C8H12
108.18
C=CC1CCC=CC1
kegg_C19310
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
Mid000029
C6H13NO2
131.17
CCC(C)C(C(=O)O)N
kegg:NA
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
ID
molecular formula
molecular weight
SMILES
Database
Mid000034
C9H10O
134.17
C1CC2=CC=CC=C2C1O
kegg_C01710;CID_22819
ID
molecular formula
molecular weight
SMILES
Database
Mid000036
C10H14
134.22
CC1=CC=CC=C1C(C)C
knapsack_C00010974
ID
molecular formula
molecular weight
SMILES
Database
Mid000037
C5H5N5
135.13
C1=NC2=NC=NC(=C2N1)N
CAS:73-24-5;KEGG:C00147;