Exact Mass: 512.1853
Exact Mass Matches: 512.1853
Found 303 metabolites which its exact mass value is equals to given mass value 512.1853
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
sialosyl-Tn saccharide
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone
(1R*,2S*,4S*,4S*,6S*,7R*,8R*,9S*,10S*,11Z,14S*,17S*)-14-acetoxy-6-chloro-4,8-epoxy-9,17-dihydroxy-2-propionyloxybriara-5(16),11-dien-18-one
6-(2,6-dihydroxy-4-methoxy-3-methyl-benzhydryl)-5,7-dihydroxy-8-methyl-2-phenyl-chroman-4-one|isomelanervin
(2RS,3RS)-2,3,4,5-tetrahydro-3-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-10-methoxyphenanthro[2,1-b]furan-7-ol|phochinenin F
naphthalene-1,8-diol 1,8-bis(4-O-methyl-beta-glucopyranoside)|naphthalene-1,8-diyl bis(4-O-methyl-beta-glucopyranoside)
2,2-dimethyl-2H-(8-hydroxy-6-acetyl)-[2,3-b]-pyran-8-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Ser Tyr Asp Glu
Glu Ser Tyr Asp
Ser Tyr Glu Asp
C24H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methyl-, 2-(4-hydroxyphenyl)ethyl ester
C26H28N2O9_14H-Pyrano[3,4:6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_major
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_49.7\\%
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_88.5\\%
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_47.5\\%
Ala Glu Met Tyr
Ala Glu Tyr Met
Ala Met Glu Tyr
Ala Met Tyr Glu
Ala Tyr Glu Met
Ala Tyr Met Glu
Cys Asp Ile Tyr
Cys Asp Leu Tyr
Cys Asp Tyr Ile
Cys Asp Tyr Leu
Cys Glu Val Tyr
Cys Glu Tyr Val
Cys Ile Asp Tyr
Cys Ile Tyr Asp
Cys Leu Asp Tyr
Cys Leu Tyr Asp
Cys Met Pro Tyr
Cys Met Tyr Pro
Cys Pro Met Tyr
Cys Pro Tyr Met
Cys Val Glu Tyr
Cys Val Tyr Glu
Cys Tyr Asp Ile
Cys Tyr Asp Leu
Cys Tyr Glu Val
Cys Tyr Ile Asp
Cys Tyr Leu Asp
Cys Tyr Met Pro
Cys Tyr Pro Met
Cys Tyr Val Glu
Asp Cys Ile Tyr
Asp Cys Leu Tyr
Asp Cys Tyr Ile
Asp Cys Tyr Leu
Asp Asp Thr Tyr
Asp Asp Tyr Thr
Asp Glu Ser Tyr
Asp Glu Tyr Ser
Asp Phe Met Thr
Asp Phe Thr Met
Asp Ile Cys Tyr
Asp Ile Tyr Cys
Asp Leu Cys Tyr
Asp Leu Tyr Cys
Asp Met Phe Thr
Asp Met Thr Phe
Asp Ser Glu Tyr
Asp Ser Tyr Glu
Asp Thr Asp Tyr
Asp Thr Phe Met
Asp Thr Met Phe
Asp Thr Tyr Asp
Asp Tyr Cys Ile
Asp Tyr Cys Leu
Asp Tyr Asp Thr
Asp Tyr Glu Ser
Asp Tyr Ile Cys
Asp Tyr Leu Cys
Asp Tyr Ser Glu
Asp Tyr Thr Asp
Glu Ala Met Tyr
Glu Ala Tyr Met
Glu Cys Val Tyr
Glu Cys Tyr Val
Glu Asp Ser Tyr
Glu Asp Tyr Ser
Glu Phe Met Ser
Glu Phe Ser Met
Glu Met Ala Tyr
Glu Met Phe Ser
Glu Met Ser Phe
Glu Met Tyr Ala
Glu Ser Asp Tyr
Glu Ser Phe Met
Glu Ser Met Phe
Glu Val Cys Tyr
Glu Val Tyr Cys
Glu Tyr Ala Met
Glu Tyr Cys Val
Glu Tyr Asp Ser
Glu Tyr Met Ala
Glu Tyr Ser Asp
Glu Tyr Val Cys
Phe Asp Met Thr
Phe Asp Thr Met
Phe Glu Met Ser
Phe Glu Ser Met
Phe Met Asp Thr
Phe Met Glu Ser
Phe Met Ser Glu
Phe Met Thr Asp
Phe Ser Glu Met
Phe Ser Met Glu
Phe Thr Asp Met
Phe Thr Met Asp
Ile Cys Asp Tyr
Ile Cys Tyr Asp
Ile Asp Cys Tyr
Ile Asp Tyr Cys
Ile Tyr Cys Asp
Ile Tyr Asp Cys
Leu Cys Asp Tyr
Leu Cys Tyr Asp
Leu Asp Cys Tyr
Leu Asp Tyr Cys
Leu Tyr Cys Asp
Leu Tyr Asp Cys
Met Ala Glu Tyr
Met Ala Tyr Glu
Met Cys Pro Tyr
Met Cys Tyr Pro
Met Asp Phe Thr
Met Asp Thr Phe
Met Glu Ala Tyr
Met Glu Phe Ser
Met Glu Ser Phe
Met Glu Tyr Ala
Met Phe Asp Thr
Met Phe Glu Ser
Met Phe Ser Glu
Met Phe Thr Asp
Met Met Met Thr
Met Met Thr Met
Met Pro Cys Tyr
Met Pro Tyr Cys
Met Ser Glu Phe
Met Ser Phe Glu
Met Thr Asp Phe
Met Thr Phe Asp
Met Thr Met Met
Met Tyr Ala Glu
Met Tyr Cys Pro
Met Tyr Glu Ala
Met Tyr Pro Cys
Pro Cys Met Tyr
Pro Cys Tyr Met
Pro Met Cys Tyr
Pro Met Tyr Cys
Pro Tyr Cys Met
Pro Tyr Met Cys
Ser Asp Glu Tyr
Ser Asp Tyr Glu
Ser Glu Asp Tyr
Ser Glu Phe Met
Ser Glu Met Phe
Ser Glu Tyr Asp
Ser Phe Glu Met
Ser Phe Met Glu
Ser Met Glu Phe
Ser Met Phe Glu
Thr Asp Asp Tyr
Thr Asp Phe Met
Thr Asp Met Phe
Thr Asp Tyr Asp
Thr Phe Asp Met
Thr Phe Met Asp
Thr Met Asp Phe
Thr Met Phe Asp
Thr Met Met Met
Thr Tyr Asp Asp
Val Cys Glu Tyr
Val Cys Tyr Glu
Val Glu Cys Tyr
Val Glu Tyr Cys
Val Tyr Cys Glu
Val Tyr Glu Cys
Tyr Ala Glu Met
Tyr Ala Met Glu
Tyr Cys Asp Ile
Tyr Cys Asp Leu
Tyr Cys Glu Val
Tyr Cys Ile Asp
Tyr Cys Leu Asp
Tyr Cys Met Pro
Tyr Cys Pro Met
Tyr Cys Val Glu
Tyr Asp Cys Ile
Tyr Asp Cys Leu
Tyr Asp Asp Thr
Tyr Asp Glu Ser
Tyr Asp Ile Cys
Tyr Asp Leu Cys
Tyr Asp Ser Glu
Tyr Asp Thr Asp
Tyr Glu Ala Met
Tyr Glu Cys Val
Tyr Glu Asp Ser
Tyr Glu Met Ala
Tyr Glu Ser Asp
Tyr Glu Val Cys
Tyr Ile Cys Asp
Tyr Ile Asp Cys
Tyr Leu Cys Asp
Tyr Leu Asp Cys
Tyr Met Ala Glu
Tyr Met Cys Pro
Tyr Met Glu Ala
Tyr Met Pro Cys
Tyr Pro Cys Met
Tyr Pro Met Cys
Tyr Ser Asp Glu
Tyr Ser Glu Asp
Tyr Thr Asp Asp
Tyr Val Cys Glu
Tyr Val Glu Cys
10S,11R-epoxy-punaglandin 3
α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy
Taladegib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C188731 - Hedgehog Pathway Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
(4bS,6aS,7S,9aS,9bS)-N-[2,5-Bis(trifluoromethyl)phenyl]-6a-methyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
(E)-2-Methyl-4-(4-(2-Methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
19-Ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] dihydrogen phosphate
N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
An amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (2->6).
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(2S,3R,4R)-3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
An amino disaccharide composed of N-acetylneuraminic acid and 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose residues in (alpha-2->6) linkage.
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-ethyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
9,10-bis(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
6-o-(3,4-dimethoxybenzoyl)-ajugol
{"Ingredient_id": "HBIN012580","Ingredient_name": "6-o-(3,4-dimethoxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C24H32O12","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}