Exact Mass: 446.1413
Exact Mass Matches: 446.1413
Found 141 metabolites which its exact mass value is equals to given mass value 446.1413
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Lucuminic acid
Lucuminic acid is found in fruits. Lucuminic acid is a constituent of Calocarpum sapota (marmalade plum) Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits.
Monotropeoside
Monotropeoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product.
Gaultherin
Gaultherin is a glycoside. Gaultherin is a natural product found in Gaultheria procumbens, Monotropa hypopitys, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis. Gaultherin is a non-steroidal anti-inflammatory drug (NSAID). Gaultherin has analgesic and anti-inflammatory effects and lack gastric ulcerogenic effect compared to Aspirin[1].
Daphylloside
Daphylloside is a glycoside and an iridoid monoterpenoid. Daphylloside is a natural product found in Spermacoce alata, Escallonia myrtoidea, and other organisms with data available.
4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde
3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A
9alpha,13alpha-dihydroxyisopropylidenylisatisine A
erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside
benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
dichotomine I|methyl 1-acetyl-8-(beta-D-glucopyranosyloxy)-9H-beta-carboline-3-carboxylate
betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside
C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside
C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate
C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)
Trichodermamide C
CONFIDENCE isolated standard
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based on: CCMSLIB00000848485]
Cys Gly His Met
Cys Gly Met His
Cys His Gly Met
Cys His Met Gly
Cys Met Gly His
Cys Met His Gly
Gly Cys His Met
Gly Cys Met His
Gly His Cys Met
Gly His Met Cys
Gly Met Cys His
Gly Met His Cys
His Cys Gly Met
His Cys Met Gly
His Gly Cys Met
His Gly Met Cys
His Met Cys Gly
His Met Gly Cys
Met Cys Gly His
Met Cys His Gly
Met Gly Cys His
Met Gly His Cys
Met His Cys Gly
Met His Gly Cys
Lucuminic acid
1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester
3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Cloprostenol Sodium
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate
benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
GW791343
GW791343 dihydrochloride is a potent human P2X7 receptor negative allosteric modulator (exhibits species-specific activity), produces a non-competitive antagonist effect on human P2X7 receptor, with a pIC50 of 6.9-7.2. GW791343 dihydrochloride can enhance ATP rhythm. GW791343 dihydrochloride can be used in study of neurological disease[1][2].
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
N-(7,8-Dimethoxy-2-oxochromen-3-YL)-4A,5,8-trihydroxy-N-methyl-4,5,8,8A-tetrahydro-1,2-benzoxazine-3-carboxamide
methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
3-L-valyl-AMP
An L-valyl ester obtained by formal condensation of the carboxy group of L-valine with the 3-hydroxy group of AMP.
2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid
2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
OGT-IN-2
OGT-IN-2 (compound 4) is a potent O-GlcNAc transferase (OGT) inhibitor, with IC50 values of 30 and 53 μM for sOGT and ncOGT, respectively[1].
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl benzoate
(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate
methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
10-acetoxymajoroside
{"Ingredient_id": "HBIN000045","Ingredient_name": "10-acetoxymajoroside","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "CC(=O)OCC1=C2C(CC1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101006028","DrugBank_id": "NA"}
1′-O-benzoylsucrose
{"Ingredient_id": "HBIN002845","Ingredient_name": "1\u2032-O-benzoylsucrose","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}