Exact Mass: 616.2209
Exact Mass Matches: 616.2209
Found 192 metabolites which its exact mass value is equals to given mass value 616.2209
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heme
Heme is the color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins. A heme or haem is a prosthetic group that consists of an iron atom contained in the center of a large heterocyclic organic ring called a porphyrin. Not all porphyrins contain iron, but a substantial fraction of porphyrin-containing metalloproteins have heme as their prosthetic subunit; these are known as hemoproteins. Protoheme ix, also known as ferroprotoheme or [fe(ppix)], is a member of the class of compounds known as metalloporphyrins. Metalloporphyrins are polycyclic compounds containing a porphyrin moiety and a metal atom. Protoheme ix can be found in a number of food items such as orange mint, cucumber, deerberry, and pear, which makes protoheme ix a potential biomarker for the consumption of these food products. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].
trans-delta-Viniferin 3'-glucoside
trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.
trans-delta-Viniferin 3'-glucoside
trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.
Pallidol 3-glucoside
Pallidol 3-glucoside is found in alcoholic beverages. Pallidol 3-glucoside is isolated from Riesling wine. Isolated from Riesling wine. Pallidol 3-glucoside is found in alcoholic beverages.
Candesartan N2-glucuronide
Candesartan N2-glucuronide is a metabolite of Candesartan. Candesartan n2-glucuronide belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
Candesartan O-glucuronide
Candesartan O-glucuronide is a metabolite of candesartan. Candesartan is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. The prodrug candesartan cilexetil is marketed by AstraZeneca and Takeda Pharmaceuticals, commonly under the trade names Blopress, Atacand, Amias, and Ratacand. (Wikipedia)
Casopitant
2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate
5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin
131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
dihydrocatalpol hexaacetate|Hexaacetyl-dihydrocatalpol
1,4,5-trihydroxy-7-methylnaphthalene-4-O-beta-xylopyranosyl-(1->4)-beta-xylopyranosyl-(1->6)-beta-glucopyranoside|diospyroside A
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-(2)-methylbutyroyloxy-4beta-hydroxy-dihydro-beta-agarofuran
(-)-epsilon-viniferin-12b-C-glucopyranoside|diptoindonesin
(-)-ampelopsin F-11b-O-beta-glucopyranoside|cordifoloside A
7-acetyl-11beta-acetoxy-1-epidihydronomilin|toonin A
7-<6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy>coumarin|7-[6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy]coumarin
(2Z)-2-methylbut-2-enoic acid (2R,5R,7R,8S,14aS)-5-(benzoyloxy)-5,6,7,8-tetrahydro-2,3-dimethoxy-7-methyl-1-oxospiro[1H,14H-benzo[1,8]cycloocta[1,2,3-cd][1,3]dioxolo[4,5-g]benzofuran-6,2-oxiran]-8-yl ester|Heteroclitin O
C30H32O14_Spiro[cyclopenta[c]pyran-7(1H),2(5H)-furan]-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5-oxo-, methyl ester, (1S,4aS,7R,7aS)
methyl (1S,4aS,7aS)-4-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2-furan]-4-carboxylate
Glu Pro Trp Trp
Glu Trp Pro Trp
Glu Trp Trp Pro
Pro Glu Trp Trp
Pro Trp Glu Trp
Pro Trp Trp Glu
Trp Glu Pro Trp
Trp Glu Trp Pro
Trp Pro Glu Trp
Trp Pro Trp Glu
Trp Trp Glu Pro
Trp Trp Pro Glu
Candesartan N2-Glucuronide
trans-delta-Viniferin 3''-glucoside
trans-delta-Viniferin 3'''-glucoside
Pallidol 3-glucoside
2-[(1E,3Z)-3-CHLORO-5-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,1,3-TRIMETHYL-1H-BENZO[E]INDOLIUM PERCHLORATE
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]inden-1-ylidene]ethylidene]-1,3,3-trimethylindole,perchlorate
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
Casopitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(2S,3S,4S,5R,6S)-6-[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(6+)
(31R)-8,12-diethyl-71-hydroxybacteriochlorophyllide c
[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
Hematin
Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].
2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
beta-D-Glucopyranuronic acid, 1-[5-[4-[(7-carboxy-2-ethoxy-1H-benzimidazol-1-yl)methyl][1,1-biphenyl]-2-yl]-2H-tetrazol-2-yl]-1-deoxy-
Heme b
A metalloprotoporphyrin in which the four pyrrole nitrogens of the protoporphyrin moiety are coordinated to iron. It is the most abundant of the heme compounds.
(R)-Casopitant
(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].
(1s,2r,4s,7s,8s,10s,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
1,3-ditrimethylsilyl 2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate
2-(4-{2-[3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 5-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
2-(3-{2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl}-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 4-(2-{[(4r,4as,6s,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
2-{4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol
(1r,4as,6r,7r,7as)-6-[3-(3-hydroxybenzoyloxy)benzoyloxy]-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
methyl (1s,4as,7r,7as)-4'-[(1s)-1-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl]-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
(1s,16r,17r,19r)-16-{[(2s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione
(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,22s,23s,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate
(2s,3z)-1-[(2s)-2-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[(3s,4r,5r)-3,4-dihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
(1s,2s,4s,7r,9r,11s,13r,14s,15r,16s,17r)-4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate
7-epi-19-hydroxybaccatin b5677iii
{"Ingredient_id": "HBIN013168","Ingredient_name": "7-epi-19-hydroxybaccatin b5677iii","Alias": "NA","Ingredient_formula": "C32H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenoid pmv70p691-041
{"Ingredient_id": "HBIN016361","Ingredient_name": "anticancerstilbenoid pmv70p691-041","Alias": "NA","Ingredient_formula": "C34H32O11","Ingredient_Smile": "C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1445","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}