Exact Mass: 550.1111
Exact Mass Matches: 550.1111
Found 153 metabolites which its exact mass value is equals to given mass value 550.1111
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quercetin 3-(6'-malonyl-glucoside)
Quercetin 3-(6-malonyl-glucoside) is found in endive. Quercetin 3-(6-malonyl-glucoside) is isolated from Apocynum venetum and Salicornia europaea [CCD]. Isolated from Apocynum venetum and Salicornia europaea [CCD]. Quercetin 3-(6-malonyl-glucoside) is found in endive, lettuce, and pear. Quercetin 3-O-(6''-O-malonyl)-β-D-glucoside, a natural flavonol glycoside, possesses antioxidant activity[1].
Betanin
Isobetanin is found in red beetroot. Minor congener of Betanin, e.g. from beetroot and Amaranthus specie
Cefclidin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Betanin
BL II
BL II is found in mushrooms. BL II is a constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). BL II is found in mushrooms.
Formononetin 7-(2-p-hydroxybenzoylglucoside)
Formononetin 7-(2-p-hydroxybenzoylglucoside) is found in herbs and spices. Formononetin 7-(2-p-hydroxybenzoylglucoside) is isolated from Trifolium repens (white clover). Isolated from Trifolium repens (white clover). Formononetin 7-(2-p-hydroxybenzoylglucoside) is found in tea, herbs and spices, and pulses.
Cefclidin
(S-(R*,R*))-4-(2-(2-Carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid
Quercetin 3-(6-malonylgalactoside)
Myricetin 3-(4-malonylrhamnoside)
Quercetagetin 7-(6-isobutyrylglucoside)
2)-xyloside
O(C)c1c(c(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1)-c1c2c(c(O)cc(OC)c2)cc2C(=O)C=C(C)C(=O)c12
Syringetin 3- (6'-acetylglucoside)
4-[2-[[[Hexahydro-4-[(4-hydroxybenzoyl)oxy]-1H-azepin-3-yl]amino]carbonyl]-6-hydroxybenzoyl]-3,5-dihydroxybenzoic acid
1,1-dihydroxy-3,3-dimethyl-8,8-dimethoxy-6,6-O-bianthraquinone
7-O-(6-Malonyl-beta-D-glucopyranoside)-3,4,5,6,7-Pentahydroxyflavone
1,4-dihydroxyanthraquinone-2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|rubiayannone-A
Rubiayannone A
Rubiayannone A is a natural product found in Rubia yunnanensis with data available.
MEGxp0_000167
Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) is a quercetin O-glucoside that is quercetin attached to a 6-O-malonyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite and a metabolite. It is a quercetin O-glucoside, a malonate ester, a beta-D-glucoside, a monosaccharide derivative and a tetrahydroxyflavone. Quercetin 3-O-malonylglucoside is a natural product found in Rubus glaucus, Smyrnium olusatrum, and other organisms with data available. See also: Moringa oleifera leaf (part of). A quercetin O-glucoside that is quercetin attached to a 6-O-malonyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. Quercetin 3-O-(6''-O-malonyl)-β-D-glucoside, a natural flavonol glycoside, possesses antioxidant activity[1].
Quercetin-3-(6-malonyl)-Glucoside
Acquisition and generation of the data is financially supported in part by CREST/JST. Quercetin 3-O-(6''-O-malonyl)-β-D-glucoside, a natural flavonol glycoside, possesses antioxidant activity[1].
2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid [IIN-based: Match]
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid [IIN-based on: CCMSLIB00000846043]
Cys Cys Tyr Tyr
Cys Tyr Cys Tyr
Cys Tyr Tyr Cys
Tyr Cys Cys Tyr
Tyr Cys Tyr Cys
Tyr Tyr Cys Cys
Formononetin 7-(2-p-hydroxybenzoylglucoside)
[1,1-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester
methyl-3-[2-(4-nitrobenzoyl)acetamino]-4-[3,5-dicarboxymethyl)-phenoxy]-benzoate
N-(4-chloro-phenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-2-Naphthalenecarboxamide
(E)-2-OXO-4-(3-OXO-4-(3-(TRIFLUOROMETHYL)PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [1,1-BIPHENYL]-4-CARBOXYLATE
2-Oxo-4-{(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}h exahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate
2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
Urea, N-[6-[[6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-2-benzothiazolyl]-N-[2-(4-morpholinyl)ethyl]-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor SAR125844 is a potent, selective, and ATP-competitive MET kinase inhibitor with the value of IC50 is 4.2 nM and Ki is 2.8 nM. SAR125844 has antitumor activity and can be used for the research of cancer[1][2][3].
Betanine
D004396 - Coloring Agents > D050859 - Betacyanins D004396 - Coloring Agents > D050858 - Betalains
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
(S-(R*,R*))-4-(2-(2-Carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid
7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
Betacyanin
D004396 - Coloring Agents > D050859 - Betacyanins D004396 - Coloring Agents > D050858 - Betalains
(R)-lipoyl-GMP(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of (R)-lipoyl-GMP; major species at pH 7.3.
2-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide
N-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
3,6,11,12-tetrakis(acetyloxy)-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate
1-hydroxy-6-[(5-hydroxy-4-methoxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-8-methoxy-3-methylanthracene-9,10-dione
(3s)-4-{[(2s,3r,4r,5s,6r)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-4-oxobutanoic acid
(6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-methylpropanoate
3-[(6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-3-oxopropanoic acid
2,4-dihydroxy-5-(5-hydroxy-6-methyl-4-oxooxan-2-yl)-18-methyl-14-{3-methyl-[2,2'-bioxiran]-3-yl}-6,13-dioxapentacyclo[9.8.0.0³,⁹.0⁵,⁷.0¹²,¹⁷]nonadeca-1(11),2,9,12(17),14,18-hexaene-8,16-dione
7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxyoxolan-2-yl)oxy]chromen-4-one
βetanin
{"Ingredient_id": "HBIN018104","Ingredient_name": "\u03b2etanin","Alias": "NA","Ingredient_formula": "C24H26N2O13","Ingredient_Smile": "C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2322","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}