Exact Mass: 522.2101014
Exact Mass Matches: 522.2101014
Found 252 metabolites which its exact mass value is equals to given mass value 522.2101014
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Isobrucein A
A quassinoid consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a 3-methylbutanoyloxy group.
Icariside E5
Icariside E5 is a glycoside and a stilbenoid. Icariside E5 is a natural product found in Brainea insignis and Capsicum annuum with data available. Icariside E5 is found in fruits. Icariside E5 is a constituent of ripe fruits of Capsicum annuum var. acuminatum
Isolariciresinol 9'-O-beta-D-glucoside
Isolariciresinol 9-O-beta-D-glucoside is a constituent of Scots pine (Pinus sylvestris) needles. Constituent of Scots pine (Pinus sylvestris) needles
(7'R,8'R)-4,7'-Epoxy-3',5-dimethoxy-4',9,9'-lignanetriol 9'-glucoside
(7R,8R)-4,7-Epoxy-3,5-dimethoxy-4,9,9-lignanetriol 9-glucoside is found in alcoholic beverages. (7R,8R)-4,7-Epoxy-3,5-dimethoxy-4,9,9-lignanetriol 9-glucoside is isolated from Riesling wine. Isolated from Riesling wine. (7R,8R)-4,7-Epoxy-3,5-dimethoxy-4,9,9-lignanetriol 9-glucoside is found in alcoholic beverages.
Isolariciresinol 4'-O-beta-D-glucoside
Isolariciresinol 4-O-beta-D-glucoside is found in alcoholic beverages. Isolariciresinol 4-O-beta-D-glucoside is a constituent of Riesling wine. Constituent of Riesling wine. Isolariciresinol 4-O-beta-D-glucoside is found in alcoholic beverages.
Isolariciresinol 9-O-beta-D-glucoside
Isolariciresinol 9-O-beta-D-glucoside is a constituent of Scots pine (Pinus sylvestris) needles. Constituent of Scots pine (Pinus sylvestris) needles.
BRUCEIN A
Bruceine A is a quassinoid. Bruceine A is a natural product found in Brucea javanica with data available. Bruceine A(NSC310616; Dihydrobrusatol) is a natural quassinoid compound extracted from the dried fruits of Brucea javanica (L.); are potential candidates for the treatment of canine babesiosis. IC50 value: Target: Bruceine A inhibited the in vitro growth of Babesia gibsoni in canine erythrocytes at lower concentration compared with the standard antibabesial drug diminazene aceturate and killed the parasites within 24 hr at a concentration of 25 nM. Oral administration of bruceine A at a dosage of 6.4 mg/kg/day for 5 days resulted in no clinical findings in a dog with normal ranges of hematological and biochemical values in the blood. Three dogs were infected with B. gibsoni and two of them were treated with bruceine A at a dosage of 6.4 mg/kg/day for 6 days from day 5 post-infection. Bruceine A(NSC310616; Dihydrobrusatol) is a natural quassinoid compound extracted from the dried fruits of Brucea javanica (L.); are potential candidates for the treatment of canine babesiosis. IC50 value: Target: Bruceine A inhibited the in vitro growth of Babesia gibsoni in canine erythrocytes at lower concentration compared with the standard antibabesial drug diminazene aceturate and killed the parasites within 24 hr at a concentration of 25 nM. Oral administration of bruceine A at a dosage of 6.4 mg/kg/day for 5 days resulted in no clinical findings in a dog with normal ranges of hematological and biochemical values in the blood. Three dogs were infected with B. gibsoni and two of them were treated with bruceine A at a dosage of 6.4 mg/kg/day for 6 days from day 5 post-infection.
Bruceine
Bruceine A is a quassinoid. Bruceine A is a natural product found in Brucea javanica with data available. Bruceine A(NSC310616; Dihydrobrusatol) is a natural quassinoid compound extracted from the dried fruits of Brucea javanica (L.); are potential candidates for the treatment of canine babesiosis. IC50 value: Target: Bruceine A inhibited the in vitro growth of Babesia gibsoni in canine erythrocytes at lower concentration compared with the standard antibabesial drug diminazene aceturate and killed the parasites within 24 hr at a concentration of 25 nM. Oral administration of bruceine A at a dosage of 6.4 mg/kg/day for 5 days resulted in no clinical findings in a dog with normal ranges of hematological and biochemical values in the blood. Three dogs were infected with B. gibsoni and two of them were treated with bruceine A at a dosage of 6.4 mg/kg/day for 6 days from day 5 post-infection. Bruceine A(NSC310616; Dihydrobrusatol) is a natural quassinoid compound extracted from the dried fruits of Brucea javanica (L.); are potential candidates for the treatment of canine babesiosis. IC50 value: Target: Bruceine A inhibited the in vitro growth of Babesia gibsoni in canine erythrocytes at lower concentration compared with the standard antibabesial drug diminazene aceturate and killed the parasites within 24 hr at a concentration of 25 nM. Oral administration of bruceine A at a dosage of 6.4 mg/kg/day for 5 days resulted in no clinical findings in a dog with normal ranges of hematological and biochemical values in the blood. Three dogs were infected with B. gibsoni and two of them were treated with bruceine A at a dosage of 6.4 mg/kg/day for 6 days from day 5 post-infection.
trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
(2R,3R,4S,5S,6R)-2-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-{2-[[3-(4-hydroxy-3-methoxyphenyl)-2-propenyl]oxy]ethyl}-2,6-dimethoxyphenyl-beta-D-glucopyranoside
(+)-lariciresinol-4-O-beta-D-glucopyranoside|(-)-lariciresinol-4-O-beta-D-glucopyranoside|7S,8R,8R-(-)-lariciresinol-4-O-beta-D-glucopyranoside|lariciresinol 4-O-beta-D-glucopyranoside
2-[4,5-Dimethoxy-5-(3-phenyl-trans-allyl)cyclohexa-3,6-dien-2-on-1-ylmethyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran
11beta,12beta-Epoxide,2,3,14-tri-Ac-8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide
(-)-4,4,9-trihydroxy-3,5-dimethoxy-2,7-cyclolignan 9-O-beta-D-glucopyranoside
11,16-dihydroxy-12-O-beta-D-glucopyranosyl-17(15->16),18(4->3)-abeo-4-carboxy-3,8,11,13-abietatetraen-7-one
5-methoxy-9-beta-xylopyranosyl-(-)-isolariciresinol
2-(3,5-Dimethoxy-4-(3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)phenyl)-3-hydroxymethyl-7-methoxy-2,3-dihydrobenzofuran 5-(1-propanol)
seco-dehydrodiconiferyl alcohol-4-O-beta-D-glucopyranoside
[(1S,2S,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxynaphthalen-2-yl]methyl beta-D-xylopyranoside
(11beta)-1,2,21,23-tetrahydro-11,23-dihydroxy-21-oxoobacunoic acid
2-[4,5-Dimethoxy-2-(3-phenyl-trans-allyloxy)benzyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran
Urolignoside
Urolignoside is a natural product found in Salacia chinensis, Keteleeria evelyniana, and other organisms with data available.
(+)-Isolariciresinol 9O-Glucoside
(+)-Isolariciresinol 9-O-glucoside is a natural product found in Pedicularis densispica, Glochidion zeylanicum, and other organisms with data available.
Azatadine maleate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Azatadine bimaleate is an inhibitor of histamine receptors and choline receptors with IC50s of 6.5 nM and 10 nM respectively.
Asperphenamate analogue phenylalanine to tyrosine substitution
(7R,8S)-dihydrodehydrodiconiferyl alcohol 9-O-beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
C26H34O11_beta-D-Glucopyranoside, [(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofuranyl]methyl
C26H34O11_[(2R,3R,4S)-6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside
C26H34O11_3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl beta-D-glucopyranoside
C26H34O11_2-{2-Hydroxy-5-[(1E)-3-hydroxy-1-propen-1-yl]-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)propyl hexopyranoside
2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
(2R,3R,4S,5S,6R)-2-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol_major
Cys Met Asn Arg
C18H34N8O6S2 (522.2042624000001)
Cys Met Arg Asn
C18H34N8O6S2 (522.2042624000001)
Cys Asn Met Arg
C18H34N8O6S2 (522.2042624000001)
Cys Asn Arg Met
C18H34N8O6S2 (522.2042624000001)
Cys Arg Met Asn
C18H34N8O6S2 (522.2042624000001)
Cys Arg Asn Met
C18H34N8O6S2 (522.2042624000001)
Asp Phe Asn Gln
Asp Phe Gln Asn
Asp Asn Phe Gln
Asp Asn Gln Phe
Asp Gln Phe Asn
Asp Gln Asn Phe
Glu Phe Met Pro
Glu Phe Asn Asn
Glu Phe Pro Met
Glu His His Thr
Glu His Thr His
Glu Ile Met Met
Glu Leu Met Met
Glu Met Phe Pro
Glu Met Ile Met
Glu Met Leu Met
Glu Met Met Ile
Glu Met Met Leu
Glu Met Pro Phe
Glu Asn Phe Asn
Glu Asn Asn Phe
Glu Pro Phe Met
Glu Pro Met Phe
Glu Thr His His
Phe Asp Asn Gln
Phe Asp Gln Asn
Phe Glu Met Pro
Phe Glu Asn Asn
Phe Glu Pro Met
Phe Met Glu Pro
Phe Met Pro Glu
Phe Asn Asp Gln
Phe Asn Glu Asn
Phe Asn Asn Glu
Phe Asn Gln Asp
Phe Pro Glu Met
Phe Pro Met Glu
Phe Gln Asp Asn
Phe Gln Asn Asp
His Glu His Thr
His Glu Thr His
His His Glu Thr
His His Thr Glu
His Thr Glu His
His Thr His Glu
Ile Glu Met Met
Ile Met Glu Met
Ile Met Met Glu
Leu Glu Met Met
Leu Met Glu Met
Leu Met Met Glu
Met Cys Asn Arg
C18H34N8O6S2 (522.2042624000001)
Met Cys Arg Asn
C18H34N8O6S2 (522.2042624000001)
Met Glu Phe Pro
Met Glu Ile Met
Met Glu Leu Met
Met Glu Met Ile
Met Glu Met Leu
Met Glu Pro Phe
Met Phe Glu Pro
Met Phe Pro Glu
Met Ile Glu Met
Met Ile Met Glu
Met Leu Glu Met
Met Leu Met Glu
Met Met Glu Ile
Met Met Glu Leu
Met Met Ile Glu
Met Met Leu Glu
Met Asn Cys Arg
C18H34N8O6S2 (522.2042624000001)
Met Asn Arg Cys
C18H34N8O6S2 (522.2042624000001)
Met Pro Glu Phe
Met Pro Phe Glu
Met Arg Cys Asn
C18H34N8O6S2 (522.2042624000001)
Met Arg Asn Cys
C18H34N8O6S2 (522.2042624000001)
Asn Cys Met Arg
C18H34N8O6S2 (522.2042624000001)
Asn Cys Arg Met
C18H34N8O6S2 (522.2042624000001)
Asn Asp Phe Gln
Asn Asp Gln Phe
Asn Glu Phe Asn
Asn Glu Asn Phe
Asn Phe Asp Gln
Asn Phe Glu Asn
Asn Phe Asn Glu
Asn Phe Gln Asp
Asn Met Cys Arg
C18H34N8O6S2 (522.2042624000001)
Asn Met Arg Cys
C18H34N8O6S2 (522.2042624000001)
Asn Asn Glu Phe
Asn Asn Phe Glu
Asn Gln Asp Phe
Asn Gln Phe Asp
Asn Arg Cys Met
C18H34N8O6S2 (522.2042624000001)
Asn Arg Met Cys
C18H34N8O6S2 (522.2042624000001)
Pro Glu Phe Met
Pro Glu Met Phe
Pro Phe Glu Met
Pro Phe Met Glu
Pro Met Glu Phe
Pro Met Phe Glu
Gln Asp Phe Asn
Gln Asp Asn Phe
Gln Phe Asp Asn
Gln Phe Asn Asp
Gln Asn Asp Phe
Gln Asn Phe Asp
Arg Cys Met Asn
C18H34N8O6S2 (522.2042624000001)
Arg Cys Asn Met
C18H34N8O6S2 (522.2042624000001)
Arg Met Cys Asn
C18H34N8O6S2 (522.2042624000001)
Arg Met Asn Cys
C18H34N8O6S2 (522.2042624000001)
Arg Asn Cys Met
C18H34N8O6S2 (522.2042624000001)
Arg Asn Met Cys
C18H34N8O6S2 (522.2042624000001)
Thr Glu His His
Thr His Glu His
Thr His His Glu
Isolariciresinol 9-O-b-D-glucoside
Icariside E5
Constituent of ripe fruits of Capsicum annuum variety acuminatum. Icariside E5 is found in many foods, some of which are green bell pepper, yellow bell pepper, red bell pepper, and herbs and spices.
(7'R,8'R)-4,7'-Epoxy-3',5-dimethoxy-4',9,9'-lignanetriol 9'-glucoside
Isolariciresinol 9'-O-b-D-glucoside
Isolariciresinol 4'-O-b-D-glucoside
5-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl hexopyranoside
Vanoxerine dihydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
1-[4-[[4-[(5-Cyclopentyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl]amino]phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
[[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-yl]methyl]beta-D-glucopyranoside
2-[4-[4-[(4-Hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[2-(4-Hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-4H-pyran-3-carboxylate
Baeckea frutescens 6
D001697 - Biomedical and Dental Materials > D003764 - Dental Materials
3-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran]-5-yl]propyl beta-D-glucopyranoside
(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester
(+)-Isolariciresinol-3alpha-O-beta-D-glucopyranoside
(2-Benzamido-3-phenylpropyl) 2-benzamido-3-(4-hydroxyphenyl)propanoate
(7R,8R)-4,7-Epoxy-3,5-dimethoxy-4,9,9-lignanetriol 9-glucoside
BF 6
An organic heterotetracyclic compound that is 8,12-dihydro-2H,9H-pyrano[2,3-a]xanthene-4,9,11(3H,10H)-trione substituted by methyl groups at positions 6, 8, 8, 10 and 10 and phenyl groups at positions 2 and 12 respectively (the S-enantiomer). It is isolated from the leaves of Baeckea frutescens and exhibits cytotoxicity against leukemia cells.