Exact Mass: 326.0725
Exact Mass Matches: 326.0725
Found 195 metabolites which its exact mass value is equals to given mass value 326.0725,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
TRIPHENYL PHOSPHATE
CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9628; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9720 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9683 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9737; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3638 CONFIDENCE standard compound; INTERNAL_ID 2464 CONFIDENCE standard compound; INTERNAL_ID 8249 CONFIDENCE standard compound; INTERNAL_ID 8795 CONFIDENCE standard compound; INTERNAL_ID 4175
Dihydrosterigmatocystin
Dihydrosterigmatocystin is a mycotoxin of Aspergillus versicolo
Fertaric acid
Fertaric acid is a the ester of tartaric acid and the phenolic acid ferulic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]
Atroviridin
Atroviridin is found in fruits. Atroviridin is a constituent of Garcinia atroviridis (gelugor). Constituent of Garcinia atroviridis (gelugor). Atroviridin is found in fruits.
Demethoxykanugin
Demethoxykanugin is isolated from Rhus chinensis (Chinese gall). Isolated from Rhus chinensis (Chinese gall)
O-Demethylforbexanthone
O-Demethylforbexanthone is found in fruits. O-Demethylforbexanthone is a constituent of Rheedia brasiliensis (bakupari) Constituent of Rheedia brasiliensis (bakupari). O-Demethylforbexanthone is found in herbs and spices and fruits.
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
Feruloyltartaric acid
Feruloyltartaric acid, also known as trans-fertaric acid or feruloyltartarate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Feruloyltartaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Feruloyltartaric acid can be found in common grape, grape wine, sherry, and vinegar, which makes feruloyltartaric acid a potential biomarker for the consumption of these food products.
Boeravinone A
Boeravinone A is a member of rotenones. boeravinone A is a natural product found in Boerhavia diffusa with data available.
3,5-Dimethoxy-6,7-methylenedioxyflavone
5,7-Dimethoxy-3,4-methylenedioxyflavone
7,8-Dimethoxy-3,4-methylenedioxyflavone
3,5,7-Ttrihydroxylchromone 3-O-??-D-xylopyranoside
2,2-Dimethyl-5,8,9-trihydroxy-2H,6H-pyrano[3,2-b]xanthen-6-one
6-hydroxy-2,7,8-trimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinanthrone
1,3,5-trihydroxy-13,13-dimethyl-2H-pyran[7,6-b]xanthen-9-one
(E)-1-oxo-3,4-dihydro-1H-isochromen-7-yl 3-(3,4-dihydroxyphenyl)acrylate
2,2-Dimethyl-6,10,11-trihydroxy-2,7-dihydropyrano[3,2-c]xanthene-7-one
7,8-dimethoxy-3,4-methylenedioxy-phenanthrene-1-carboxylic acid|demethylaristofolin C
(-)-3-O-galloylshikimic acid|(-)-shikimic acid 3-O-gallate|3-O-galloyl shikimic acid|3-O-galloyl-(-)-shikimic acid|3-O-Galloylshikimic acid|5-O-galloylshikimic acid|shikimic acid 5-O-gallate
rel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acid
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
2-(1-hydroxy-1-methylethyl)-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
4-O-galloyl-(-)-shikimic acid|4-O-Galloylshikimic acid
3-Acetonyl-1,8-dihydroxy-6-methoxy-anthrachinon|3-acetonyl-1,8-dihydroxy-6-methoxy-anthraquinone|Dermoquinone
4,5-methylenedioxy-7,2-dimethoxyflavone|millettocalyxin A
4,5-dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
Dihydrosterigmatocystin
A sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety.
3-bromo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid
3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid
methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate
4-Boc-7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
Silane, [(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy](1,1-dimethylethyl)dimethyl-
6-Chloro-9-beta-D-(2,3-isopropylidene)ribofuranosylpurine
2-(2-Anilinovinyl)-3-(3-sulfopropyl)-2-thiazolinium inner salt
2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine
3-(2-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-CHLORO-2-[2-PHENYLVINYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-Bromo-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
7-(4-methylsulfanylphenyl)-5-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
4-[[(2-Methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
2-[(4-Chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one
7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
(2S,3S)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid.
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
1-Methyl-4-[(4-methylphenyl)thio]-3-nitro-2-quinolinone
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide
1-(Phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
3-(4-Fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[[[5-(Phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine
1,1-Difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonic acid
(2R,3R)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of L-tartaric acid.
(2S,3S)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid.
(3E)-3-[[4-(Methylamino)-3-nitrophenyl]methylidene]thiochromen-4-one
1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
2-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate
4,5-Dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
[(1R,12R)-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yl] acetate
(2R,3R)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid.
(3r,5as,6s,10ar)-6-hydroxy-2-methyl-3,10a-bis(methylsulfanyl)-3h,5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
(1s,2r,3r)-1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
6,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
methyl 8-hydroxy-9-oxo-6-(2-oxopropyl)xanthene-1-carboxylate
methyl 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromene-5-carboxylate
(1s,13s)-17-methoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one
{"Ingredient_id": "HBIN001061","Ingredient_name": "1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(C=C(C=C4O3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',4'-methylenedi oxy-6,7-dimethoxyflavone
{"Ingredient_id": "HBIN007500","Ingredient_name": "3',4'-methylenedi oxy-6,7-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-ttrihydroxylchromone 3-o-β-d-xylopyra-noside
{"Ingredient_id": "HBIN007586","Ingredient_name": "3,5,7-ttrihydroxylchromone 3-o-\u03b2-d-xylopyra-noside","Alias": "NA","Ingredient_formula": "C14H14O9","Ingredient_Smile": "C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
