Exact Mass: 536.1896734
Exact Mass Matches: 536.1896734
Found 500 metabolites which its exact mass value is equals to given mass value 536.1896734
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gomisin G
Gomisin G is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively.
Lappaol D
Lappaol d is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol d is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol d can be found in burdock, which makes lappaol d a potential biomarker for the consumption of this food product. Lappaol A is a member of benzofurans. 2(3H)-Furanone, 4-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)- is a natural product found in Saussurea macrota, Centaurea napifolia, and other organisms with data available. See also: Arctium lappa fruit (part of).
gomisin C
Schizandrer A is a natural product found in Schisandra bicolor and Schisandra sphenanthera with data available. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
Quassimarin
Quassimarin is a constituent of Quassia amara (Surinam quassia). Constituent of Quassia amara (Surinam quassia)
8-Hydroxypinoresinol 8-glucoside
8-Hydroxypinoresinol 8-glucoside is found in fats and oils. 8-Hydroxypinoresinol 8-glucoside is a constituent of Olea europaea (olive). Constituent of Olea europaea (olive). 8-Hydroxypinoresinol 8-glucoside is found in pomes, fats and oils, and herbs and spices. 8-Hydroxypinoresinol 8-glucoside is a glycoside and a lignan.
Vaccinoside
Vaccinoside is found in fruits. Vaccinoside is isolated from flowers of Vaccinium bracteatum (sea bilberry Isolated from flowers of Vaccinium bracteatum (sea bilberry). Vaccinoside is found in fruits.
Asticolorin B
Asticolorin B is a mycotoxin from Aspergillus multicolo
8-Hydroxypinoresinol 4-glucoside
8-Hydroxypinoresinol 4-glucoside is found in fats and oils. 8-Hydroxypinoresinol 4-glucoside is a constituent of Olea europaea (olive). Constituent of Olea europaea (olive). 8-Hydroxypinoresinol 4-glucoside is found in pomes, fats and oils, and herbs and spices.
Aldosterone 18-glucuronide
Aldosterone 18-glucuronide is a natural human metabolite of Aldosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Aldosterone 18-glucuronide is a natural human metabolite of Aldosterone generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Salviaflaside methyl ester
Salviaflaside methyl ester is found in herbs and spices. Salviaflaside methyl ester is a constituent of sage (Salvia flava). Constituent of sage (Salvia flava). Salviaflaside methyl ester is found in herbs and spices.
Isolariciresinol glucuronide
Tinocrisposide
Aminoacylase
Levosemotiadil
Mecapegfilgrastim
Schisantherin
Lappaol A
Lappaol a is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol a can be found in burdock, which makes lappaol a a potential biomarker for the consumption of this food product.
Isolappaol A
Isolappaol a is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Isolappaol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isolappaol a can be found in burdock, which makes isolappaol a a potential biomarker for the consumption of this food product.
Gomisin
Schisantherin A is a tannin. Schisantherin A is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
10-O-cis-p-Coumaroyldesacetyl asperulosidic acid
5,4-Dihidroxy-7,8,2,3-tetramethoxy flavone 5-glucoside
Bidenlignaside A
A neolignan isolated from the whole plant of Bidens parviflora that has been found to inhibit histamine release from the peritoneal exudate mast cells induced by antigen-antibody reaction.
Phellavin
5,7-Dihydroxy-8,3,4,5-tetramethoxyflavone 6-C-glucoside
5-Hydroxy-6,7,3,4,5-pentamethoxyflavanone 5-O-rhamnoside
10-O-trans-p-Coumaroyldesacetyl asperulosidic acid
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
nortrachelogenin 5-C-beta-D-glucopyranoside|Nortrachelogenin-5-C-??-D-glucopyranoside
Lappaol A
Lappaol A is a member of benzofurans. 2(3H)-Furanone, 4-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)- is a natural product found in Saussurea macrota, Centaurea napifolia, and other organisms with data available. See also: Arctium lappa fruit (part of).
6-O-alpha-D-mannopyranosylswertiamarin|6-O-??-D-Mannopyranosylswertiamarin
methyl 1alpha,2beta,3alpha,6,8alpha,14beta-hexahydroxy-[4.2.110,30.11,4]-tricyclomeliac-7-oate
5-O-methyl-(E)-resveratrol 3-O-beta-D-apiofuranosyl-(1>6)-beta-D-glucopyranoside|5-O-methyl-(E)-resveratrol-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
2-Hydroxy-2-(4-O-beta-D-glucopyranosyl-3-hydroxyphenyl)methyl-3-(3,4-dimethoxyphenyl)methyl-gamma-butyrolactone
[(3S,4S)-4-[bis(4-hydroxy-3-methoxyphenyl)methyl]-2-oxotetrahydrofuran-3-yl]methyl beta-D-glucopyranoside
1,7-Bis(4-methoxyphenyl)-4,8,10-trimethoxy-6,7-dihydro-2-oxa-2H-dibenzo[cd,h]azulene-6-one
ajanoside|[2,2-bis(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-dioxin-5-yl]methyl beta-D-glucopyranoside
(2R,3R,4S)-(+)-3alpha-O-alpha-L-rhamnopyranosyl-5-methoxyisolariciresinol
di-2-(3,6,8-trihydroxy-7-acetyl-4,4-dimethyl-1,4-dihydro)naphthylmethane
[5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
4alpha,5,8-trihydroxy-alpha-tetralone 5-O-beta-D-[6-O-(4-hydroxy-3,5-dimethoxybenzoyl)]glucopyranoside
2-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-8-hydroxy-3,7-dioxabicyclo[3.3.0]octane-4-O-(beta-D-glucopyranoside)
(8S,7?S,8?R)-vladinol D-4?-O-beta?D-glucopyranoside
4beta-hydroxy-epipinoresinol 4-O-beta-glucopyranoside
5-hydroxy-6,3,4,5-tetramethoxy-7-O-beta-D-glucopyranosyl isoflavone|iridin S
(-)-5-methoxyisolariciresinol-9-O-alpha-L-rhamnopyranoside
[(benzoxy)methyl]phenyl-4-O-alpha-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside
(1S,2S,7S,8R,9S,10S,14S,17R)-2,9,14-triacetoxy-8-hydroxybriaran-5(6)-dien-18,7-olide|frajunolide Q
(-)-(3S,7S)-3-hydroxyericanone 3-O-beta-D-glucopyranoside
(?)-(7S,8R,8R)-4,4,7-trihydroxy-3,3-dimethoxylignano-9,9-lactone-7-O-beta-D-glucopyranoside|ryobunoside
3-O-beta-D-gluco-5-hydroxy-6,7,2,5-tetramethoxyflavone|hetranthin B
vanillic acid 4-O-beta-D-(6-sinapoyl)glucopyranoside
4-O-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]swertiamarin|4-O-[(E)-caffeoyl]swertiamarin
2alpha-(4-hydroxy-3-methoxyphenyl)-6alpha-(4-hydroxy-3-methoxyphenyl)-8alpha-hydroxy-3,7-dioxabicyclo[3.3.0]octane-4-O-beta-D-glucopyranoside|petaslignolide A
3,6,7,4-tetramethylquercetagetin 3-O-beta-D-glucoside
5,4-dihydroxy-2-O-beta-D-glucopyranosyl-3-O-alpha-L-rhamnopyranosylstilbene
9alpha-hydroxy-3beta-(3-hydroxy-2-methylbutyryloxy)-trixikingolide-3-acetoxyisovalerate|9alpha-hydroxy-3beta-<3-hydroxy-2-methylbutyryloxy>-trixikingolide-3-acetoxyisovalerate
(E)-pieceid-2-O-coumarate|piceid 2-O-(E)-coumarate
(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-{[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]methyl}tetrahydrofuran-3-methanol|4-(beta-D-glucopyranosyloxy)-9-hydroxy-3,3,4-trimethoxy-7,9-epoxylignan
3-O-(6-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl-1-hydroxyxanthone|tricornoside D
4-O-beta-D-glucopyranosylswertiamarin|4-O-??-D-Glucopyranosylswertiamarin
Gln Asn Phe Glu
SchisanwilsoninH
Schisanwilsonin H is a natural product found in Schisandra rubriflora with data available.
Nortracheloside
Nortracheloside is a natural product found in Selaginella doederleinii, Daphne feddei, and other organisms with data available. Nortracheloside is a lignan isolated from Trachelospermum jasminoides (Lindl.) Lem[1]. Nortracheloside is a lignan isolated from Trachelospermum jasminoides (Lindl.) Lem[1].
Nortrachelogenin-8-O-β-glucoside
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
Schisantherin A
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
C27H36O11_[2-(3,4-Dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl hexopyranoside
C26H32O12_beta-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl
C26H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5S,6R,7R,7aR)
C25H28O13_(1S,4aS,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
(1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate [IIN-based: Match]
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate [IIN-based on: CCMSLIB00000848587]
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_2.8\\%
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate_major
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_2.7\\%
Cys Asp His Tyr
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Aldosterone 18-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
CAY10416
Asticolorin B
CELLULOSE TRIACETATE
8-Hydroxypinoresinol 8-glucoside
8-Hydroxypinoresinol 4-glucoside
salviaflaside methyl ester
Vaccinoside
ST 21:4;O5;GlcA
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5,4-Dihydroxy-6,7,8,3-tetramethoxyflavone 4-galactoside
[[5-acetamido-4-[(5-nitrothiazol-2-yl)azo]-2-methoxyphenyl]imino]diethyl dipropionate
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Rolapitant Hydrochloride
C25H27ClF6N2O2 (536.1665144000001)
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
(R)-5,5,6,6,7,7,8,8-Octahydro-3,3-bis(4-nitrophenyl)-[1,1-binaphthalene]-2,2-diol
3-[[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azaniumyl)-2-[(2S,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3,4-dihydroxyoxolan-2-yl]methyl phosphate
2-[3-[1-[3-[2-(2-Methoxyethoxycarbonylamino)ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropylamino]-4-methylsulfanylbutanoic acid
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
methyl (1S,4aS,5S,6R,7R,7aR)-5-hydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
(1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-(acetyloxy)-2-methylbutanoate
4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol
A lignan that is pinoresinol attached to a beta-D-glucopyranosyloxy group at position 4. It has been isolated from the roost of Scorzonera judaica.
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-
2-acetamido-4-O-(2-acetamido-3-O-acetyl-2-deoxy-alpha-D-galactopyranuronosyl)-3-O-acetyl-2-deoxy-alpha-D-galactopyranuronic acid
(1S)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
2-[(3R,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(1R)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-18-yl]oxy]oxane-2-carboxylic acid
6-(2,4-Dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
6-(2,4-Dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
4-(2,4-Dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
3,4,5-Trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)-2-(3-methylbut-2-enoyloxy)propoxy]oxane-2-carboxylic acid
4-[3-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridin-1-ium-1-yl]butanoic acid
C26H34NO11+ (536.2131754000001)
QUASSIMARIN
A quassinoid isolated from Quassia amara and Leitneria floridana and has been shown to exhibit antitumour activity.
SOS1-IN-15
SOS1-IN-15 (Compound 37) is an orally active SOS1 inhibitor with an IC50 of 5 nM. SOS1-IN-15 is a promising agent candidate for the research of KRAS-driven cancer[1].