Browse Metabolites / Speirantha gardenii
A total of 1307 metabolites have been identified from Speirantha gardenii. The detail information about materials and analytical conditions can be found in metadata.
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
Mid000007
C4H5N3O
111.1
C1=C(NC(=O)N=C1)N
CAS:71-30-7;KEGG:C00380;
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
Mid000013
C9H10
118.18
CC(=C)C1=CC=CC=C1
kegg_C14395
ID
molecular formula
molecular weight
SMILES
Database
Mid000016
C9H12
120.19
CCC1=CC=CC=C1C
kegg_C14572
ID
molecular formula
molecular weight
SMILES
Database
Mid000018
C8H10O
122.16
CCC1=CC=C(C=C1)O
kegg_C13637;CID_31242;knapsack_C00029528
ID
molecular formula
molecular weight
SMILES
Database
Mid000019
C8H10O
122.16
CC1=CC(=C(C=C1)O)C
kegg_C14582;CID_7771
ID
molecular formula
molecular weight
SMILES
Database
Mid000027
C8H19N
129.24
CCCCCCCCN
kegg_C01740;CID_8143