Exact Mass: 456.176
Exact Mass Matches: 456.176
Found 294 metabolites which its exact mass value is equals to given mass value 456.176
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Atrovirinone
Atrovirinone is found in fruits. Atrovirinone is a constituent of the roots of Garcinia atroviridis (gelugor) Constituent of the roots of Garcinia atroviridis (gelugor). Atrovirinone is found in fruits.
3-Hydroxymethyl-picumast
Indoxam
3-Isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole
Lactupicrin methyl ester
Lactupicrin methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lactupicrin methyl ester can be found in chicory, which makes lactupicrin methyl ester a potential biomarker for the consumption of this food product.
aspernigrin B
A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties.
Lobaric acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
(2R,3R)-3,3,4,5,7-tetrahydroxy-3-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|beta-Pyranose-alpha-D-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-D-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
Dehydroaustinol
A meroterpenoid produced by Aspergillus nidulans. It has an oxygen-bridged pentacyclic structure which incorporates three lactone functionalities and a spiro union.
3,3,4,5,8-Penta-Me ether,7-O-(3-methyl-2-butenyl)-Gossypetin
alpha-D-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|alpha-L-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose
8-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol C
2-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol B
1alpha,9beta-difuranoyloxy-2-oxodihydro-beta-agarofuran
3,3-Dimethoxy-2,4-diacetoxy-5-(3-acetoxy-propyl)-stilben|trans-2,4-diacetoxy-5-(3-acetoxypropyl)-3,3-dimethoxystilbene
(1S,3aR,4S,9aR)-4-(4-acetoxy-3-methoxyphenyl)-1,7-dimethoxy-1,3,3a,4,9,9a-hexahydronaphtho<2,3-c>furan-6-yl acetate|formosanol diacetate|Methyl-alpha-conidendraldiacetat|tsugacetal diacetate
2(S)-5,6,7-trihydroxy-5-prenyl-[2,2-(3,4-dihydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
9-keto Fluprostenol
PF-3845
PF-3845 is a potent, selective, irreversible and orally active inhibitor of fatty acid amide hydrolase (FAAH), with a Ki of 0.23 μM. PF-3845 is a covalent inhibitor that carbamylates FAAH's serine nucleophile. PF-3845 can reduce pain sensation, inflammation, and anxiety/depression without substantial effects on motility or cognition[1][3].
11-keto Fluprostenol
C25H28O8_(1S,2R,3R,7R,8R,9S,13R)-8-Hydroxy-2,2,2,9,13-pentamethyl-6,16-bis(methylene)-6H-spiro[pyran-3,5-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecane]-6,11,15-trione
C25H28O8_12H-6,13-Epoxy-8,12a-methano-2H,7H-furo[3,4:6,7]oxireno[3,4]heptaleno[3,2-c]pyran-4,9,12(6H,8H)-trione, 6a,9a,10,12b,13,13a-hexahydro-9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione_major
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one_major
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,?.0²,¹¹.0³,?.0¹³,¹?.0¹?,²?]docos-13-ene-4,8,15-trione
Ala Cys Thr Tyr
Ala Cys Tyr Thr
Ala Thr Cys Tyr
Ala Thr Tyr Cys
Ala Tyr Cys Thr
Ala Tyr Thr Cys
Cys Ala Thr Tyr
Cys Ala Tyr Thr
Cys Phe Ser Thr
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Cys Thr Ala Tyr
Cys Thr Phe Ser
Cys Thr His Pro
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Cys Thr Tyr Ala
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Cys Tyr Thr Ala
Asp Glu Pro Pro
Asp Pro Glu Pro
Asp Pro Pro Glu
Glu Asp Pro Pro
Glu Pro Asp Pro
Glu Pro Pro Asp
Phe Cys Ser Thr
Phe Cys Thr Ser
Phe Ser Cys Thr
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Phe Thr Cys Ser
Phe Thr Ser Cys
Gly Met Ser Tyr
Gly Met Tyr Ser
Gly Ser Met Tyr
Gly Ser Tyr Met
Gly Tyr Met Ser
Gly Tyr Ser Met
His Cys Pro Thr
His Cys Thr Pro
His Pro Cys Thr
His Pro Thr Cys
His Thr Cys Pro
His Thr Pro Cys
Met Gly Ser Tyr
Met Gly Tyr Ser
Met Ser Gly Tyr
Met Ser Tyr Gly
Met Tyr Gly Ser
Met Tyr Ser Gly
Pro Cys His Thr
Pro Cys Thr His
Pro Asp Glu Pro
Pro Asp Pro Glu
Pro Glu Asp Pro
Pro Glu Pro Asp
Pro His Cys Thr
Pro His Thr Cys
Pro Pro Asp Glu
Pro Pro Glu Asp
Pro Thr Cys His
Pro Thr His Cys
Ser Cys Phe Thr
Ser Cys Thr Phe
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Ser Phe Thr Cys
Ser Gly Met Tyr
Ser Gly Tyr Met
Ser Met Gly Tyr
Ser Met Tyr Gly
Ser Ser Thr Tyr
Ser Ser Tyr Thr
Ser Thr Cys Phe
Ser Thr Phe Cys
Ser Thr Ser Tyr
Ser Thr Tyr Ser
Ser Tyr Gly Met
Ser Tyr Met Gly
Ser Tyr Ser Thr
Ser Tyr Thr Ser
Thr Ala Cys Tyr
Thr Ala Tyr Cys
Thr Cys Ala Tyr
Thr Cys Phe Ser
Thr Cys His Pro
Thr Cys Pro His
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Thr Cys Tyr Ala
Thr Phe Cys Ser
Thr Phe Ser Cys
Thr His Cys Pro
Thr His Pro Cys
Thr Pro Cys His
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Thr Ser Phe Cys
Thr Ser Ser Tyr
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Thr Tyr Cys Ala
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Tyr Gly Met Ser
Tyr Gly Ser Met
Tyr Met Gly Ser
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Tyr Ser Gly Met
Tyr Ser Met Gly
Tyr Ser Ser Thr
Tyr Ser Thr Ser
Tyr Thr Ala Cys
Tyr Thr Cys Ala
Tyr Thr Ser Ser
15-keto Fluprostenol
Atrovirinone
9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene-6a,7,8,9a,10,12b,13,13a-octahydro-2H,9H,12H-6,13-epoxy-8,12a-methanofuro[3,4:6,7]oxireno[2,3:3,4]heptaleno[3,2-c]pyran-4,9,12(6H)-trione
1H-1-Benzazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-(9CI)
1,7-Bis(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
3-Hydroxy-9-methoxy-6-oxo-8-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
S-hexanoyl-4-phosphopantetheine
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of hexanoic acid.
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
3-(3-Chlorophenyl)-1-[(1-methyl-3-indolyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
N-[1,4-dimethyl-2,3-dioxo-7-(1-piperidinyl)-6-quinoxalinyl]-4-ethylbenzenesulfonamide
(6R,7R,8S)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-(4-((E)-styryl)phenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnose
alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranose
alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranose
alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnose
alpha-D-rhamnopyranosyl-(1->2)-[alpha-D-rhamnopyranosyl-(1->3)]-alpha-D-rhamnopyranose
2-[(2R,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aR,4S,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
2-[(2S,4aS,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2S,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aR,4R,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
2-[(2R,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
(6R,7R,8R)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid
minocycline(1-)
An organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group.
14-hydroxy-2,6,6,13,16,19-hexamethyl-7,15,17,20-tetraoxaspiro[heptacyclo[11.8.1.0¹,¹⁸.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁶.0¹⁴,¹⁸]docosane-22,2'-oxirane]-4,9-diene-8,21-dione
4-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboximidic acid
(1'r,2's,3r,9's,12'r,13'r)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,8',11',15'-tetrone
(3s,6s)-3-({4-[(2s)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl}methyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
(7r,8s,8as)-8-(acetyloxy)-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 2,4-dimethoxy-6-methylbenzoate
{2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-2,3-dihydro-1-benzofuran-3-yl}methyl acetate
3-(4-amino-5-hydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,12-diol
(1r,2s,4s,7s,9r,10r,14r)-7-(furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadecan-2-yl (2z)-2-methylbut-2-enoate
8-hydroxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-6',11,15-trione
(1s,3ar,4s,9ar)-4-[4-(acetyloxy)-3-methoxyphenyl]-1,7-dimethoxy-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-6-yl acetate
15,16-epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide; (ent-8βh,12βh)-form,2,3-dihydro,6α-angeloyloxy
{"Ingredient_id": "HBIN001568","Ingredient_name": "15,16-epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide; (ent-8\u03b2h,12\u03b2h)-form,2,3-dihydro,6\u03b1-angeloyloxy","Alias": "NA","Ingredient_formula": "C25H28O8","Ingredient_Smile": "NA","Ingredient_weight": "456.48","OB_score": "NA","CAS_id": "96888-53-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9307","PubChem_id": "NA","DrugBank_id": "NA"}