Exact Mass: 558.1127238
Exact Mass Matches: 558.1127238
Found 140 metabolites which its exact mass value is equals to given mass value 558.1127238,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Albanol B
Albanol B is a member of benzofurans. Albanol B is a natural product found in Morus lhou, Morus mongolica, and other organisms with data available. Albanol B is found in fruits. Albanol B is a constituent of bark of white mulberry Morus alba (famine food)
Piceatannol 4'-galloylglucoside
Piceatannol 4-galloylglucoside is found in green vegetables. Piceatannol 4-galloylglucoside is isolated from Chinese rhubarb (Rheum sp.). Isolated from Chinese rhubarb (Rheum species). Piceatannol 4-galloylglucoside is found in green vegetables.
Dihydromorelloflavone
Dihydromorelloflavone is found in fruits. Dihydromorelloflavone is isolated from Garcinia morella (batuan). Isolated from Garcinia morella (batuan). Dihydromorelloflavone is found in herbs and spices and fruits.
8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate
C22H22O15S (558.0679382000001)
8-Hydroxyluteolin 4-methyl ether 8-glucoside-3-sulfate is found in herbs and spices. 8-Hydroxyluteolin 4-methyl ether 8-glucoside-3-sulfate is isolated from Althaea officinalis (marsh mallow) (as K salt).
Deoxyrubroskyrin
Deoxyrubroskyrin is from Penicillium islandicu
Sulforhodamine B
Sulforhodamine B is a food dye Sulforhodamine B or kiton red (C27H30N2O7S2) is a fluorescent dye with uses spanning from laser-induced fluorescence (LIF) to the quantification of cellular proteins of cultured cells. The red, solid, water-soluble dye is primarily used as a polar tracer D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes Food dye
Emitefur
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents
Garcinia biflavonoid 1
Losulazine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Genkwanol C
Genkwanol C is a natural product found in Daphne genkwa and Daphne feddei with data available.
3,3,4,5-Tetrahydroxystilbene 3-O-beta-D-(6-O-galloylglucopyranoside)
Daphnodorin G
2,3,4,5-Tetrahydroxystilbene 2-O-beta-D-(2-O-galloyl)glucopyranoside
2,3,4,5-Tetrahydroxystilbene 2-O-beta-D-(3-O-galloyl)glucopyranoside
Tamarixetin 3-glucoside-7-sulfate
C22H22O15S (558.0679382000001)
Quercetin 3-methyl ether 5-glucoside-3-sulfate
C22H22O15S (558.0679382000001)
[2R-[2alpha,3beta(R*)]]-3-[2,3-Dihydro-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-7-benzofuranyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
[2R-[2alpha,3beta(S*)]]-3-[2,3-Dihydro-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-7-benzofuranyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
7-O-Methylepiafzelechin-(2beta->7,4beta->8)-epiafzelechin
(2R,2R,3S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,4,5,6-tetrahydroxy-2-(4-hydroxyphenyl)-2H-spiro[1-benzofuran-3,9-furo[2,3-h]chromen]-8-one|abiesinol D
ent-naringenin-(6->8)-ent-dihydroluteolin|lateriflavanone
(2R,2R,3R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,4,5,6-tetrahydroxy-2-(4-hydroxyphenyl)-2H-spiro[1-benzofuran-3,9-furo[2,3-h]chromen]-8-one|abiesinol A
Piceatannol 3-O-??-D-(6-O-galloyl)glucopyranoside|piceatannol 3-O-beta-D-(6-O-galloyl) glucopyranoside
(-)-EGC hexaacetate|(2R)-3c,5,7-Triacetoxy-2r-(3,4,5-triacetoxy-phenyl)-chroman|epigallocatechin hexaacetate
(2S,3R,4R,5S,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triyl triacetate|3Ac-SL-0101|3Ac-SL0101|kaempferol 3-(3,4,5-tri-O-acetyl-alpha-L-rhamnoside)|kaempferol 3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)|kaempferol 3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)|Kaempferol-3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)
2-O-[(3-O-galloyl)-beta-D-glucopyranosyl]-2,3,5,4-tetrahydroxystilbene
4-[(6-O-protocatechuoyl-beta-D-glucopyranosyl)oxy]benzyl protocatechuate|amburoside E
(2R*,2R*,3R*,3R*)-2-(2,4-dihydroxyphenyl)-2,2,3,3-tetrahydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H,4H-3,3-bichromene-4,4-dione|2-dehydroxy-2,2-bisteppogenin
methyl rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-3-[(E)-caffeoyloxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate
4-C-beta-D-glucopyranosyl-1,3,6,8-tetrahydroxy-7-O-(p-hydroxybenzoyl)-9H-xanthen-9-one|shamimoside
2,6-dihydroxy-3-methyl-4-(6-O-galloyl-beta-D-glucopyranosyloxy)benzophenone
2-O-[(2-O-galloyl)-beta-D-glucopyranosyl]-2,3,5,4-tetrahydroxystilbene
(2S,3R)-Dihydrogenistein-(2alpha->7)-(2S)-maesopsin
3,4,5,6,8-pentahydroxy-2,8-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one
8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
(2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
(2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
3,4,5,6,8-pentahydroxy-2,8-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one [IIN-based: Match]
8-Hydroxyluteolin 4-methyl ether 8-glucoside-3-sulfate
C22H22O15S (558.0679382000001)
Albanol B
Deoxyrubroskyrin
FOOD Red 106
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
GB 2a
Piceatannol 4'-galloylglucoside
(2R,2S,3S,3S)-3,5,5,7,7-Pentahydroxy-2,2-bis(4-hydroxyphenyl)-2,2,3,3-tetrahydro-4H,4H-3,8-bichromene-4,4-dione
4-[2-[2-chloro-3-[2-(1-ethylquinolin-1-ium-4-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-ethylquinoline,bromide
C32H32BrClN2 (558.1437242000001)
Bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)phosphorane
Halopredone Acetate
C25H29BrF2O7 (558.1064607999999)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Zirconium, 2,2-bis(2-propenyloxy-.kappa.O)methyl-1-butanolato-.kappa.Otris(2-methyl-2-propenoato-.kappa.O)-, (OC-6-22)-
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
C15H17F15N2O3 (558.0999592000001)
UNII:0X2CW1QABJ
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Ertiprotafib
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent Ertiprotafib is an inhibitor of PTP1B, IkB kinase β (IKK-β), and a dual PPARα and PPARβ agonist, with an IC50 of 1.6 μM for PTP1B, 400 nM for IKK-β, an EC50 of ~1 μM for PPARα/PPARβ.
Fansidar
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Alisertib sodium
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
[3-Cyano-5-[[[2,4-dimethyl-5-[6-(3-pyridinyl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl]amino]carbonyl]phenyl]pentafluorosulfur
2-(3,4-Dihydroxyphenyl)-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)-[3,8-bichroman]-4,4-dione
emitefur
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
8,10,14,20,23,28-Hexahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),19,21,23-octaene-3,12,18,25,27-pentone
Hydrogen (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-))gadolinate(1-)
V - Various > V08 - Contrast media > V08C - Magnetic resonance imaging contrast media > V08CA - Paramagnetic contrast media D064449 - Sequestering Agents > D002614 - Chelating Agents
9,17-Methanonaphtho[2,3:5,6]cyclohept[1,2-d]anthracene-5,11,14,16,18(17H)-pentone, 7,8,8a,9-tetrahydro-4,6,8,10,15,19-hexahydroxy-2,12-dimethyl-, [8S-(8alpha,8aalpha,9alpha,17alpha,17aS*,19S*)]-
7-Phenyl-5-(4-sulfoanilino)benzo[a]phenazin-7-ium-3-sulfonic acid
C28H20N3O6S2+ (558.0793480000001)
6-({2-[4-ethyl-3-(sulfooxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5,6,8-pentahydroxy-2,8-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one
Tarafenacin (D-tartrate)
C25H26F4N2O8 (558.1625204000001)
Tarafenacin D-tartrate (SVT-40776 D-tartrate) is a highly selective M3 muscarinic receptor antagonist (Ki= 0.19 nM), ~200 fold selectivity over M2 receptor. IC50 value: 0.19 nM (Ki) [1] Target: M3 muscarinic receptor in vitro: SVT-40776 is highly selective for M(3) over M(2) receptors (Ki = 0.19 nmol.L(-1) for M(3) receptor affinity). SVT-40776 was the most potent in inhibiting carbachol-induced bladder contractions of the anti-cholinergic agents tested, without affecting atrial contractions over the same range of concentrations. SVT-40776 exhibited the highest urinary versus cardiac selectivity (199-fold) [1]. SVT-40776 has a much higher binding affinity (K(d) = 0.4 nM) to M5 mAChR than that of solifenacin (K(d) = 31 nM) with the same reeptor. The calculated binding free energy change (-2.3 ± 0.3 kcal/mol) from solifenacin to SVT-40776 is in good agreement with the experimentally derived binding free energy change (-2.58 kcal/mol), suggesting that our modeled M5 mAChR structure and its complexes with the antagonists are reliable [2]. in vivo: In the guinea pig in vivo model, SVT-40776 inhibited 25\% of spontaneous bladder contractions at a very low dose (6.97 microg.kg(-1) i.v), without affecting arterial blood pressure [1].
1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one
(2s,3s)-2-{5'-[(2r)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2',6-dihydroxy-[1,1'-biphenyl]-3-yl}-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one
8-[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(1's,2r,3r,8'r,10'r,11'r,14'r)-11'-chloro-10',14'-dihydroxy-6,7-dimethoxy-6'-methyl-3,8'-bis(methylsulfanyl)-3h-2'-oxa-3',6'-diazaspiro[1-benzofuran-2,5'-tricyclo[8.4.0.0³,⁸]tetradecan]-12'-ene-4',7'-dione
C23H27ClN2O8S2 (558.0897292000001)
8-[2,3-dihydroxy-5-(7-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenyl]-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
[(1s,4ar,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
7'-bromo-5-hydroxy-2,2''-diimino-2'-(1h-indol-3-yl)-1'',3''-dimethyl-4',9'-dihydro-2'h,3h-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-5''-one
(5as,11as,12r)-12-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-5a,10,11a,12-tetrahydro-5,11-dioxatetraphene-3,8,9-triol
n-[2-(acetyloxy)ethyl]-6-[2-(6-chloroquinolin-2-yl)-1,3-thiazol-4-yl]-5-methoxy-1-methyl-3-(methylsulfanyl)-4-oxopyridine-2-carboximidic acid
C25H23ClN4O5S2 (558.0798338000001)