Exact Mass: 458.172278
Exact Mass Matches: 458.172278
Found 233 metabolites which its exact mass value is equals to given mass value 458.172278
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
I-123 BMIPP
C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate Same as: D06608
Valechlorin
Constituent of Valeriana officinalis (valerian). Valechlorin is found in tea, fats and oils, and herbs and spices. Valechlorin is found in fats and oils. Valechlorin is a constituent of Valeriana officinalis (valerian). Valechlorin is an iridoid monoterpenoid.
Deoxynivalenol 3-glucoside
Deoxynivalenol 3-glucoside is found in cereals and cereal products. Deoxynivalenol 3-glucoside is isolated from cultures of sweet corn (Zea mays). Isolated from cultures of sweet corn (Zea mays). Deoxynivalenol 3-glucoside is found in cereals and cereal products and fats and oils.
Gein
Sasanquin is found in fats and oils. Sasanquin is isolated from leaves of Camellia sasanqua and Camellia japonica. Isolated from roots of Geum urbanum (herb bennet)
a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose
a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses. a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is a constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). Constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses.
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is found in herbs and spices. 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is found in herbs and spices.
Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside]
Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is found in green vegetables. Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is a constituent of Rosa damascena (damask rose). Constituent of Rosa damascena (damask rose). Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is found in herbs and spices and green vegetables.
Lorglumide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one
Benzyl glycoside,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose
rel-5-(3S,8S-dihydroxy-1R,5S-dimethyl-7-oxa-6-oxobicyclo[3,2,1]oct-8-yl)-3-methyl-2Z,4E-pentadienoic acid 3-O-beta-D-glucopyranoside
1-O-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-2-hydroxy-4-allylbenzene|3,4-Dihydroxyallylbenzene 4-O-[??-L-rhamnopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside|demethyleugenol beta-rutinoside
(1R,2S,4S,5S,6R,7R,9S,10S)-1,9,15-triacetoxy-2,4,6-trihydroxy-8-oxodihydro-beta-agarofuran
(2E)-2-decene-4,6-diyne-1,8-diol 8-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(2E)-2-Decene-4,6-diyne-1,8-diol 8-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
4-allyl-2-methoxyphenyl 6-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|4-allyl-2-methoxyphenyl-O-beta-D-apiosyl-(1->6)-beta-D-glucopyranoside
4-Allyl-2-methoxyphenyl 6-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
4-methoxy-cinnamyl-(6-O-alpha-L-arabinopyranosyl)-O-beta-D-glucopyranoside|4-methoxycinnamyl 6-O-(alpha-L-arabinopyranosyl)-beta-D-glucopyranoside
1-(beta-D-glucopyranosyloxybenzyl)-2-hydroxy-2-isopropyl-malate methyl ester
piperchabaoside A|trans-cinnamyl alcohol O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside
1,6-dihydroxy-7-methoxy-8-(3-methyl-2-butenyl)-2,2-dimethylchromeno[5,6:2,3]xanthone
1-(4-beta-D-glucopyranosyloxybenzyl)-(2R)-2-isobutylmalate|4-{{[(2R)-2-(carboxymethyl)-2-hydroxy-4-methyl-1-oxopentyl]oxy}methyl}phnyl beta-D-glucopyranoside|gymnoside I
4-(4-beta-D-glucopyranosyloxybenzyl)-(2R)-2-isobutylmalanate|4-{{[(3R)-3-carboxy-3-hydroxy-5-methyl-1-oxohexyl]oxy}methyl}phenyl beta-D- glucopyranoside|gymnoside II
His Thr Ser Asp
Geoside
Geoside is a natural product found in Salacia chinensis, Rhodiola rosea, and other organisms with data available.
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Deoxynivalenol 3-glucoside
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
Asp His Ser Thr
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Gly Tyr Gly Tyr
Gly Tyr Tyr Gly
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His Glu Ser Ser
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His Ser Glu Ser
His Ser Ser Glu
His Ser Thr Asp
His Thr Asp Ser
Asn Asp Asn Pro
Asn Asp Pro Asn
Asn Asn Asp Pro
Asn Asn Pro Asp
Asn Pro Asp Asn
Asn Pro Asn Asp
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Pro Asn Asp Asn
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Ser Asp His Thr
Ser Asp Thr His
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Tyr Gly Gly Tyr
Tyr Gly Tyr Gly
Tyr Tyr Gly Gly
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]
Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside]
Valechlorin
a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose
2-[(2-cyanoethyl)[p-[(p-nitrophenyl)azo]phenyl]amino]ethyl carbanilate
ethyl 6-fluoro-1-(4-fluorophenyl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
ethane-1,2-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate
4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
C21H26N6O4S (458.17361560000006)
Trimethylsilyl 3,4,5-tris[(trimethylsilyl)oxy]benzoate
Iodofiltic acid (123I)
C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
N-[Isoleucinyl]-N-[adenosyl]-diaminosufone
C16H26N8O6S (458.16959360000004)
5-(4-Phenoxyphenyl)-5-(4-Pyrimidin-2-Ylpiperazin-1-Yl)pyrimidine-2,4,6(2h,3h)-Trione
(2S,3S)-2-amino-4-cyclopropyl-3-[(3R)-3-(2-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazolidin-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
O-methyl-4-O-[alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl]-hydroxybenzoate
10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one
(+-)-chartaceone B
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-1-yl group at position 6. It has been isolated as a racemate from the bark of Cryptocarya chartacea.
rac-(6E)-5-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl)-7-phenylhept-6-enoic acid
2-[[4-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
2-[3-[(Z)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methylindol-1-yl]acetamide
11-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5,4:4,5]pyrrolo[2,3-b]quinoxalin-4-one
[(3aS,4R,9bS)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C27H26N2O3S (458.1664046000001)
[(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C27H26N2O3S (458.1664046000001)
[(3aR,4R,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C27H26N2O3S (458.1664046000001)
[(3aS,4S,9bS)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C27H26N2O3S (458.1664046000001)
(2E)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
C26H23FN4O3 (458.17540999999994)
Trimethylsilyl 2,4,6-tris[(trimethylsilyl)oxy]benzoate
lorglumide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(2-Methoxy-4-prop-2-enylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
(+-)-chartaceone A
A racemate composed of equimolar concentrations of chartaceone A1, A2, A3 and A4. It has been isolated from the barks of Cryptocarya chartacea.
chartaceone A
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-3-yl group at position 6.
Camlipixant
Camlipixant (BLU-5937) a potent, selective, non-competitive and orally active P2X3 homotrimeric receptor antagonist with an IC50 of 25 nM against hP2X3 homotrimeric. Camlipixant shows potent anti-tussive effect and no taste alteration. Camlipixant can be used for the research of unexplained, refractory chronic cough[1].
CC-90003
CC-90003 is an irreversible and selective inhibitor of ERK 1/2 with antitumor activity.
Quinine (sulfate hydrate)
Quinine sulfate hydrate (2:1:4) is an orally active alkaloid extracted from cinchona bark and can be used in anti-malarial studies. Quinine sulfate hydrate (2:1:4) is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl 2-methylbutanoate
(1s,6s,7s,7as)-4-[(acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-6-yl 3-methylbutanoate
3-hydroxy-5-methyl-3-{[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}hexanoic acid
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(10-hydroxydec-8-en-4,6-diyn-3-yl)oxy]oxane-3,4,5-triol
(3s,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2s)-2-methylbutanoate
(z,2z,4e)-4-(methoxyimino)-n-[(1e)-3-[(2e,4s,5r,7s,8r,10s)-4,8,14-trihydroxy-12-oxo-6,11-dioxatricyclo[11.4.0.0⁵,⁷]heptadeca-1(17),2,13,15-tetraen-10-yl]prop-1-en-1-yl]but-2-enimidic acid
(2s,3r,4s,5s,6r)-2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(5s)-5-[(2s)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-6-yl]-7-phenylhept-6-enoic acid
2-[2-(4-{5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy}phenyl)ethyl]benzene-1,4-diol
(2r,3r,5s,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,5-dihydroxy-6-{[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-4-one
(2s,3r,5s,6z)-2,5-bis(acetyloxy)-7-[(2s,3s,4r)-3-(acetyloxy)-4-methoxy-6-oxooxan-2-yl]hept-6-en-3-yl acetate
(2s,3r,4s,5s,6r)-2-{2-methoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
1-0一(6-O-a-L-rhamnopyranosy-β-D-glucopyranosyl)-2-hydroxy-4-allylbenzene
{"Ingredient_id": "HBIN000214","Ingredient_name": "1-0\u4e00(6-O-a-L-rhamnopyranosy-\u03b2-D-glucopyranosyl)-2-hydroxy-4-allylbenzene","Alias": "NA","Ingredient_formula": "C21H30O11","Ingredient_Smile": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CC=C)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36608","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2 e)-2-decene-4,6-diyne-1,8-diol 8-o-β-d-apio-furanosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN005544","Ingredient_name": "(2 e)-2-decene-4,6-diyne-1,8-diol 8-o-\u03b2-d-apio-furanosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "(2e)-2-decene-4,6-diyne-1,8-diol 8-o-\u03b2-d-apio-furanosyl-(1\u21926)-\u03b2-d-glucopyranoside","Ingredient_formula": "C21H30O11","Ingredient_Smile": "COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14930","TCMID_id": "4841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyallylbenzene4-o-[α-l-rhamnopyranosyl-(1→6)]-β-d-glucopyranoside
{"Ingredient_id": "HBIN007384","Ingredient_name": "3,4-dihydroxyallylbenzene4-o-[\u03b1-l-rhamnopyranosyl-(1\u21926)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H30O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-propenyl-2-methoxyphenyl6-o-β-d-apiofuranosyl(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN010831","Ingredient_name": "4-propenyl-2-methoxyphenyl6-o-\u03b2-d-apiofuranosyl(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H30O11","Ingredient_Smile": "COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17908","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}