Browse Metabolites / Calystegia hederacea
A total of 853 metabolites have been identified from Calystegia hederacea. 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
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
Mid000031
C9H8O
132.16
C1C(=O)CC2=CC=CC=C21
kegg_C07727;CID_11983
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
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;
ID
molecular formula
molecular weight
SMILES
Database
Mid000039
C8H8O2
136.15
CC1=CC(=CC(=C1)O)C=O
CID_12293123