Exact Mass: 528.1148
Exact Mass Matches: 528.1148
Found 193 metabolites which its exact mass value is equals to given mass value 528.1148
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tremulacin
Tremulacin is a glycoside. Tremulacin is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available.
Mahuannin D
A proanthocyanidin isolated form Ephedra sinica.
Cefquinome
Lactose citrate
Razaxaban
1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents
Hypocrellin C
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
HypocrellinC
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-5,4-[4,6-dihydroxy-1,2-phenyleneoxy(4-hydroxyphenylmethylene)]tetrahydrofuran
Daphnodorin J
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate
7-oxo-3,8,9-trihydroxystaurosporine trifluoroacetate
O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<*>4)-O-(beta-D-mannopyranuronic acid)-(1<*>4)-O-D-mannopyranuronic acid
Chrysoaphin-sl-1|Chrysoaphin-sl-2|chrysoaphin-Slambda-2
3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl 6-O-[(4-hydroxyphenyl)carbonyl]-beta-D-glucopyranoside|iriflophenone 2-O-[6-O-(4-hydroxybenzoyl)]-beta-D-glucopyranoside
(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J
2-methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
hovenin A|{(2R,3R)-3,5,7,5-tetrahydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]-chroman-4-one}
D-threo-guaiacylglycerol 8-O-beta-D-(6-O-galloyl)glucopyranoside
4-((2,4-dihydroxy-4-(hydroxymethyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin I
1-(3-beta-D-glucosyloxy-4-hydroxyphenyl)-3-hydroxymethyl-4-methoxy-6,7-methylenedioxy-2-naphthoic acid lactone|justalakonin
(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B
4-((3-((3,4-dihydroxyphenyl)ethynyl)-4-hydroxy-4-(hydroxymethyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin J
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-4-(4-hydroxybenzoyl)-5-(2,4-dihydroxyphenyl)tetrahydrofuran
Oenin
Primulin_(anthocyanin)
Malvidin 3-galactoside is an anthocyanidin glycoside.
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate_major
Cys Asp Glu Tyr
Cys Asp Tyr Glu
Cys Glu Asp Tyr
Cys Glu Tyr Asp
Cys Tyr Asp Glu
Cys Tyr Glu Asp
Asp Cys Glu Tyr
Asp Cys Tyr Glu
Asp Glu Cys Tyr
Asp Glu Tyr Cys
Asp Tyr Cys Glu
Asp Tyr Glu Cys
Glu Cys Asp Tyr
Glu Cys Tyr Asp
Glu Asp Cys Tyr
Glu Asp Tyr Cys
Glu Tyr Cys Asp
Glu Tyr Asp Cys
Tyr Cys Asp Glu
Tyr Cys Glu Asp
Tyr Asp Cys Glu
Tyr Asp Glu Cys
Tyr Glu Cys Asp
Tyr Glu Asp Cys
nickel(2+),1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
[1,1-Binaphthalene]-2,2-diol, 3,3-bis(4-nitrophenyl)-, (1S)
Sivelestat Sodium
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Razaxaban
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant
Nizofenone fumarate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose
dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose
dTDP-3-amino-4-dehydro-2,3,6-trideoxy-beta-L-glucose
(2S,3R,4S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
4-O-[4-O-(4-Deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-alpha-D-galactopyranuronosyl]-alpha-D-galactopyranuronic acid
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1,8,9,10-Tetrahydroxy-5-(hydroxymethyl)-7-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione
7-Oxo-3,8,9-trihydroxy staurosporine
A indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity.
Alvaradoin J
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-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.
Alvaradoin I
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
ent-apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin
3-[[2-(4-Bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide
N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
3,4,5-trihydroxy-6-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-sulino-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid
(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
3-[2-O-(4-Hydroxybenzoyl)-beta-D-glucopyranosyl]-2,4,4,6-tetrahydroxybenzophenone
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)
A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.
3-Carboxy-1-hydroxypropylthiamine diphosphate
A 1,3-thiazolium cation that is 1,3-thiazol-3-ium substituted by a methyl group at position 4, a (4-amino-2-methylpyrimidin-5-yl)methyl group at position 3, a 3-carboxy-1-hydroxypropyl at position 2 and a 2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl group at position 5.
KRAS G12C inhibitor 19
KRAS G12C inhibitor 19 is a potent inhibitor of KRAS G12C. KRAS G12C inhibitor 19 significantly inhibits tumor growth (extracted from patent WO2021118877A1)[1].
LUT014
LUT014 is a B-Raf inhibitor with an IC50 of 11.7 nM, and developed to reduce dose-limiting acneiform lesions associated EGFR Inhibitors treatment. Extracted from patent WO 2019026065A2 [1].
PSB-603
PSB-603 is a potent and highly selective A2B adenosine receptor antagonist exhibiting a Ki value of 0.553 nM and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].
UGT8-IN-1
UGT8-IN-1 is a brain penetrable and orally active inhibitor of ceramide galactosyltransferase enzyme (UGT8). UGT8-IN-1 can be used in the study for lysosomal storage disorders[1].
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
[(2r,3s,4s,5r,6r)-6-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2e)-2-methylbut-2-enoate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-6-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,5,6-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one
5-[(10s,11s)-10-(3,5-dihydroxyphenyl)-11-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol
11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
8-O-galloyl desbenzoylpaeoniflorin
{"Ingredient_id": "HBIN013857","Ingredient_name": "8-O-galloyl desbenzoylpaeoniflorin","Alias": "NA","Ingredient_formula": "C23H28O14","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC(=C(C(=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O","Ingredient_weight": "528.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15450040","DrugBank_id": "NA"}