Exact Mass: 415.1168
Exact Mass Matches: 415.1168
Found 18 metabolites which its exact mass value is equals to given mass value 415.1168,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Cylindrospermopsin
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has R configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
Epicylindrospermopsin
3-(5-Hydroxy-1H-indole-3-yl)-4-(1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
3-(1H-Indole-3-yl)-4-(5-hydroxy-1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-Dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] sulfate
(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-8,8b-diaza-1-azoniaacenaphthylen-4-yl sulfate
1-[4-(Diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
cylindrospermopsin zwitterion
A zwitterion resulting from the transfer of a proton from the sulfooxy group to one of the nitrogens of the guanidine group of cylindrospermopsin.
7-epi-Cylindrospermopsin
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has S configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
[(4s,5r,6s,8s,10r)-10-[(r)-hydroxy(2-hydroxy-6-oxo-1h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl]oxidanesulfonic acid
bisindolylpyrrole cpb-53-594-4
{"Ingredient_id": "HBIN018625","Ingredient_name": "bisindolylpyrrole cpb-53-594-4","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2474","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisindolylpyrrole cpb-53-594-5
{"Ingredient_id": "HBIN018626","Ingredient_name": "bisindolylpyrrole cpb-53-594-5","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=C2C=C(C=C3)O)C4=CNC5=CC=CC=C54","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2475","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
