Exact Mass: 554.1247956
Exact Mass Matches: 554.1247956
Found 179 metabolites which its exact mass value is equals to given mass value 554.1247956
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose
8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Lippioside II
Lippioside II is found in herbs and spices. Lippioside II is a constituent of Lippia graveolens (Mexican oregano)
C.I. Acid Green 50
C27H26N2O7S2 (554.1181366000001)
C.I. Acid Green 50 is a food colourant. Prohibited in Japan, Canada, USA, Norway, Sweden and Finland. Food colourant . Prohibited in Japan, Canada, USA, Norway, Sweden and Finland
Moghatin
3-Desoxydicranolomin
Ligustrosidic acid
Ligustrosidic acid is a natural product found in Ligustrum lucidum and Ligustrum japonicum with data available. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1]. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1].
Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO
Annotation level-3
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-3-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin H
6-O-[(6-O-allophanyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-2-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin I
(2S)-2,3-dihydroisocryptomerin|2,3-dihydroisocryptomerin
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
6-methoxysorigenin-8-O-rutinoside|8,9-dihydroxy-6-methoxy-naphthalide 8-O-beta-rutinoside
(8aR)-13-amino-11-chloro-4t,15,16-trihydroxy-1t-methoxy-12-methyl-(8ar)-1,2,3,4,8a,13-hexahydro-9H-chromeno[3,2:6,7][1,3]dioxino[4,5,6:4,5]naphtho[2,1-g]isoquinoline-5,14-dione|4-Chlor-albofungin|Chlor-Albofungin
2,3-Dihydro-4-O-methyl amentoflavone|2,3-dihydro-4-O-methylamentoflavone
2,3-Dihydropodocarpusflavone A
2,3-Dihydropodocarpusflavone A is a natural product found in Cycas beddomei with data available.
Green S
C27H26N2O7S2 (554.1181366000001)
Lippioside II
6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium Hexafluorophosphate
C18H27ClF6N6OP2 (554.1314213999999)
Bedaquiline
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide hydrochloride
N-{7-Cyano-6-[4-Fluoro-3-({[3-(Trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-Benzothiazol-2-Yl}cyclopropanecarboxamide
TAK-632 is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAFV600E, BRAFWT, respectively.
[(2R,3S,4S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
Cudranian 1
A flavonol 7-O-beta-D-glucoside that is kaempferol substituted by a p-hydroxybenzyl group at position 6 and a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is isolated from the root barks of Cudrania tricuspidata and exhibits radical scavenging effects against 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and anti-lipid peroxidation efficacy on human low-density lipoprotein by TBARS assay.
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)
A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl.
[4,5-Bis[(4-methoxyphenyl)imino]-3-phenyl-2-sulfanylidene-1-imidazolidinyl]-(4-chlorophenyl)methanone
C30H23ClN4O3S (554.1179318000001)
[(2R,3S,4S,5S)-4-Hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl] hydrogen phosphate
Agrocinopine A
A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose.
GSK837149A
GSK837149A is a selective inhibitor of human Fatty Acid Synthase (FASN) targeting the KR domain. GSK837149A has reversible inhibition effect on FASN and selectivity for type I FASN (Ki=30 nM). GSK837149A is also a competitive inhibitor of NADPH and a non-competitive inhibitor of acetoacetyl-CoA. GSK837149A can be used for the research of obesity and breast cancer[1][2].
Siremadlin
Siremadlin (NVP-HDM201) is a potent, orally bioavailable and highly specific p53-MDM2 interaction inhibitor.
(3r)-4-hydroxy-3-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
5,7-dihydroxy-2-(4-{2-hydroxy-5-[(2s)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenoxy}phenyl)chromen-4-one
(17r,18r)-18-[(2r)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-13,15-dihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione
2-{3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-8-yl]-4-methoxyphenyl}-5,7-dihydroxychromen-4-one
(2s,3r,4r,5r,6r)-2-{3-benzoyl-2,4,6-trihydroxy-5-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
8,10,13,15,16-pentahydroxy-11-methoxy-3-(penta-1,3-dien-1-yl)-6,7-dihydro-2-oxahexaphene-1,9,14-trione
4-hydroxy-3-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-[3,6'-bichromene]-4,4'-dione
6-[6-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(1s,2r,4s,5r,7s,8r,11r,12r,13s,14s,15s)-5,15-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.0²,⁴.0⁸,¹²]octadec-17-en-13-yl acetate
2-{3-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-4-hydroxyphenyl}-5-hydroxy-7-methoxychromen-4-one
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(1s,2r,5r,6s,9r,10s,11s,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-(acetyloxy)acetate
4-bromo-n-[3-(2-imino-1,3-dihydroimidazol-4-yl)-2-(2-imino-5-oxo-4-{8-oxo-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-4-ylidene}imidazolidin-1-yl)propyl]-1h-pyrrole-2-carboxamide
5,7-dihydroxy-8-{2-hydroxy-5-[(2s)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl}-2-(4-hydroxyphenyl)chromen-4-one
5,7-dihydroxy-6-{2-hydroxy-5-[(2s)-7-hydroxy-5-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl}-2-(4-hydroxyphenyl)chromen-4-one
6-{[9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3h-naphtho[2,3-c]furan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl acetate
2,3-dihydro-4'''-o-methyl amentoflavone
{"Ingredient_id": "HBIN003997","Ingredient_name": "2,3-dihydro-4'''-o-methyl amentoflavone","Alias": "NA","Ingredient_formula": "C31H22O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'',3''-dihydroochnflavone 7''-o-methyl ether
{"Ingredient_id": "HBIN004025","Ingredient_name": "2'',3''-dihydroochnflavone 7''-o-methyl ether","Alias": "NA","Ingredient_formula": "C31H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5683","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Aquilarisinin
{"Ingredient_id": "HBIN016544","Ingredient_name": "Aquilarisinin","Alias": "NA","Ingredient_formula": "C25H30O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=CC(=CC(=C3C(=O)C4=CC=C(C=C4)O)O)O)CO)O)O)O","Ingredient_weight": "554.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32382","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101784424","DrugBank_id": "NA"}