Metabolite List

metabolites which its exact mass nearly 561.1244 with tolerance error 0.01 da.

Vitisin A (BioCAD00000032850)
Formula: C26H25O14 (Exact Mass: 561.1244)

Vitisin A is found in alcoholic beverages. Vitisin A is a constituent of some red wines

plant natural products
carboxypyranomalvidin 3-glucoside (BioCAD00000481181)
Formula: C26H25O14 (Exact Mass: 561.1244)

4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-isopropyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridine-2-carbonyl)-piperazine-2-carboxylic acid amide (BioCAD00000627404)
Formula: C25H28ClN5O4S2 (Exact Mass: 561.1271)

US10981893, Example 29 (BioCAD00000630200)
Formula: C28H24ClN5O4S (Exact Mass: 561.1237)

2-[6-[4-(6-Aminopyridin-3-yl)sulfonylpiperazin-1-yl]-5-phenylpyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (BioCAD00000631154)
Formula: C23H21F6N5O3S (Exact Mass: 561.1269)

1-(4-benzylpiperazin-1-yl)-2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethane-1,2-dione (BioCAD00000632373)
Formula: C29H28BrN3O4 (Exact Mass: 561.1263)

1-[(3-bromophenyl)methyl]-4-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]methyl]triazole (BioCAD00000670704)
Formula: C31H24BrN5O (Exact Mass: 561.1164)

1-[(2-bromophenyl)methyl]-4-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]methyl]triazole (BioCAD00000671863)
Formula: C31H24BrN5O (Exact Mass: 561.1164)

1-[(4-bromophenyl)methyl]-4-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]methyl]triazole (BioCAD00000672869)
Formula: C31H24BrN5O (Exact Mass: 561.1164)

3-Cyclopropyl-2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid (BioCAD00000674150)
Formula: C30H25Cl2N3O4 (Exact Mass: 561.1222)

2-hydroxy-N-(2-methylsulfonylethyl)-2-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][1,2]benzoxazol-7-yl]acetamide (BioCAD00000679321)
Formula: C26H22F3N3O6S (Exact Mass: 561.1181)

6-[4-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]piperazin-1-yl]-2-(5-methyl-1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione (BioCAD00000684508)
Formula: C26H23N7O4S2 (Exact Mass: 561.1253)

Penethamate Hydriodide (BioCAD00000756230)
Formula: C22H32IN3O4S (Exact Mass: 561.1158)

11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one (BioCAD00001553671)
Formula: [C26H25O14]+ (Exact Mass: 561.1244)

plant natural products marine natural products
CNP0500492.0 (BioCAD00001603539)
Formula: C29H24ClN3O7 (Exact Mass: 561.1303)

STL533467 (BioCAD00001616690)
Formula: C29H24ClN3O7 (Exact Mass: 561.1303)

7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2??,8-dioxatricyclo[7.3.1.0?,¹³]trideca-1(12),2,4,6,9(13),10-hexaen-2-ylium (BioCAD00001665656)
Formula: [C26H25O14]+ (Exact Mass: 561.1244)

NPD12261 (BioCAD00001724115)
Formula: C29H24ClN3O7 (Exact Mass: 561.1303)

(4Z)-11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one (BioCAD00001799699)
Formula: [C26H25O14]+ (Exact Mass: 561.1244)

CNP0250421.1 (BioCAD00001955951)
Formula: C24H27N5O5S3 (Exact Mass: 561.1174)