Exact Mass: 448.1369
Exact Mass Matches: 448.1369
Found 254 metabolites which its exact mass value is equals to given mass value 448.1369
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxy-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoic acid
Isosakuranin
Puddumin B is found in fruits. Puddumin B is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus subspecies Isosakuranetin 7-glucoside is found in fruits. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
Piperenol C
Piperenol C is found in herbs and spices. Piperenol C is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Piperenol C is found in herbs and spices.
7-Hydroxy-8-O-methylaloin B
7-Hydroxy-8-O-methylaloin A is a constituent of Aloe vera leaf
Chalconosakuranetin
Chalconosakuranetin is found in black walnut. Chalconosakuranetin is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus cerasoides (wild Himalayan cherry). Chalconosakuranetin is found in black walnut and fruits.
Aromadendrin 4'-methyl ether 7-rhamnoside
Aromadendrin 4-methyl ether 7-rhamnoside is found in citrus. Aromadendrin 4-methyl ether 7-rhamnoside is a constituent of the fruit of orange (Citrus sinensis). Constituent of the fruit of orange (Citrus sinensis). Aromadendrin 4-methyl ether 7-rhamnoside is found in sweet orange and citrus.
Puddumin A
Constituent of Prunus cerasoides (wild Himalayan cherry). 5-Methylnaringenin 7-glucoside is found in fruits. Puddumin A is found in fruits. Puddumin A is a constituent of Prunus cerasoides (wild Himalayan cherry).
Trombodipine
Sakuranin
Sakuranin is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, sakuranin is considered to be a flavonoid lipid molecule. Sakuranin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sakuranin can be found in black walnut and prunus (cherry, plum), which makes sakuranin a potential biomarker for the consumption of these food products. Sakuranin is a flavanone, a type of flavonoid. It is the O-glucoside of sakuranetin. It can be found in Prunus sp .
Dihydrowogonin 7-glucoside
Dihydrowogonin 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Dihydrowogonin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrowogonin 7-glucoside can be found in sour cherry, which makes dihydrowogonin 7-glucoside a potential biomarker for the consumption of this food product.
Isosakuranin
Isosakuranin is a member of flavonoids and a glycoside. CID 102004611 is a natural product found in Prunus leveilleana, Prunus verecunda, and other organisms with data available. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
Dihydrokaempferide 7-rhamnoside
5,6-dihydroxy-8-methoxy-2,7-dimethyl-4H-naphtho[2,3-b]pyran-4-one 6-O-beta-D-glucopyranoside|quinquangulin-6-O-beta-D-glucopyranoside
2-(beta-D-glucopyranosyloxy>-8-hydroxy-3-methyl-9,10-anthraquinone
(2S,3R,5R,6S)-2,3,5,6-tetrahydroxy-4-[2-(4-hydroxyphenyl)acetyl]oxycyclohexyl-2-(4-hydroxyphenyl)acetate
(10S)10-C-beta-glucopyranosyl-1,8-dihydroxy-3-methyl-6-methoxy-9(10H)-anthracenone|patientoside B
2,4,6-trihydroxy-4-methoxydihydrochalcone 2-O-beta-D-ribohexo-3-ulopyranoside|asebogenin 2-O-beta-D-ribohexo-3-ulopyranoside
(S)-3-(4-beta-glucopyranosyloxybenzyl)-7-hydroxy-5-methoxyphthalide
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-acetyl)-beta-D-glucoside|(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-(6-O-acetyl)-glucoside|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-acetyl)-??-D-glucopyranoside
1,2-bis-O-(2-methoxybenzoyl)-beta-D-glucopyranoside
C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
Ala Asp Asp Glu
Ala Asp Glu Asp
Ala Glu Asp Asp
Asp Ala Asp Glu
Asp Ala Glu Asp
Asp Asp Ala Glu
Asp Asp Glu Ala
Asp Glu Ala Asp
Asp Glu Asp Ala
Asp Glu Glu Gly
Asp Glu Gly Glu
Asp Gly Glu Glu
Glu Ala Asp Asp
Glu Asp Ala Asp
Glu Asp Asp Ala
Glu Asp Glu Gly
Glu Asp Gly Glu
Glu Glu Asp Gly
Glu Glu Gly Asp
Glu Gly Asp Glu
Glu Gly Glu Asp
Gly Asp Glu Glu
Gly Glu Asp Glu
Gly Glu Glu Asp
7-Hydroxy-8-O-methylaloin B
Benzothiazolium, 2-[3-[1-(2-hydroxyethyl)-4(1H)-quinolinylidene]-1-propen-1-yl]-3-methyl-, tetrafluoroborate(1-)
DIPHENYL ((5-FLUORO-6-METHYLPYRIDIN-2-YL)(PHENYLAMINO)METHYL)PHOSPHONATE
(3,4-Dimethoxybenzyl)-triphenylphosphonium chloride
Pamicogrel
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester
2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoyl]oxyoxane-2-carboxylic acid
(2R)-7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
2-[(chloroacetyl)(3-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
Staphyloferrin B
A siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and alpha-ketoglutaric acid units.
Alvaradoin N
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
1-[(4-Fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
5-(3-Butoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
N-[(2-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(2S,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
1-[(1S,2aS,8bS)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1S,2aR,8bR)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
N-[(2-fluorophenyl)methyl]-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(2S,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
1-[(1R,2aR,8bR)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1R,2aR,8bR)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aS,8bS)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(Z)-2-Cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
VU6012962
VU6012962 is an orally bioavailable and CNS-penetrant metabotropic glutamate receptor 7 negative allosteric modulator (mGlu7 NAM) with an IC50 of 347 nM[1].
benzyl 2-{[(2s,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxybenzoate
(3r)-3-(3-hydroxy-4-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
(3s)-7-hydroxy-5-methoxy-3-[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-3h-2-benzofuran-1-one
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2r,3r,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
(3s)-3-(4-hydroxy-3-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
9-{[(2z)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
[(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1z)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 3-chloro-4,6-dimethoxy-2-methylbenzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxybenzoyloxy)oxan-2-yl 2-methoxybenzoate
(2e)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one
(2s,3s,5r,6r)-3,5-dihydroxy-2-{3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxan-4-one
3-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
8-hydroxy-1-methoxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroanthracene-9,10-dione
methyl (2r,4s)-4-{6,14-dihydroxy-13-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-15-yl}-2-hydroxy-4-methoxybutanoate
(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2e)-3-(2-hydroxyphenyl)prop-2-enoate
(2r)-7-hydroxy-5-methoxy-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
(2s,3r,4s,5r,6r)-2-{[(1r,10r)-15-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4''-hydroxyimperatorin 4''-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN010543","Ingredient_name": "4''-hydroxyimperatorin 4''-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)COC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15861","TCMID_id": "10230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-8-o-methylaloin a
{"Ingredient_id": "HBIN013262","Ingredient_name": "7-hydroxy-8-o-methylaloin a","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "NA","Ingredient_weight": "448.426","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7442","PubChem_id": "NA","DrugBank_id": "NA"}
biochanin-7-glucoside
{"Ingredient_id": "HBIN018522","Ingredient_name": "biochanin-7-glucoside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}