Exact Mass: 412.17965499999997
Exact Mass Matches: 412.17965499999997
Found 230 metabolites which its exact mass value is equals to given mass value 412.17965499999997,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Cinalukast
C23H28N2O3S (412.18205380000006)
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Brucein E
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
C23H28N2O3S (412.18205380000006)
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
Penicitrinol B
A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
Bm 567
C18H28N4O5S (412.17803180000004)
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one
3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone
(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%
Ala Ala Asp His
C16H24N6O7 (412.17063939999997)
Ala Ala His Asp
C16H24N6O7 (412.17063939999997)
Ala Asp Ala His
C16H24N6O7 (412.17063939999997)
Ala Asp His Ala
C16H24N6O7 (412.17063939999997)
Ala Glu Gly His
C16H24N6O7 (412.17063939999997)
Ala Glu His Gly
C16H24N6O7 (412.17063939999997)
Ala Gly Glu His
C16H24N6O7 (412.17063939999997)
Ala Gly His Glu
C16H24N6O7 (412.17063939999997)
Ala His Ala Asp
C16H24N6O7 (412.17063939999997)
Ala His Asp Ala
C16H24N6O7 (412.17063939999997)
Ala His Glu Gly
C16H24N6O7 (412.17063939999997)
Ala His Gly Glu
C16H24N6O7 (412.17063939999997)
Cys Pro Pro Pro
C18H28N4O5S (412.17803180000004)
Asp Ala Ala His
C16H24N6O7 (412.17063939999997)
Asp Ala His Ala
C16H24N6O7 (412.17063939999997)
Asp His Ala Ala
C16H24N6O7 (412.17063939999997)
Glu Ala Gly His
C16H24N6O7 (412.17063939999997)
Glu Ala His Gly
C16H24N6O7 (412.17063939999997)
Glu Gly Ala His
C16H24N6O7 (412.17063939999997)
Glu Gly His Ala
C16H24N6O7 (412.17063939999997)
Glu His Ala Gly
C16H24N6O7 (412.17063939999997)
Glu His Gly Ala
C16H24N6O7 (412.17063939999997)
Gly Ala Glu His
C16H24N6O7 (412.17063939999997)
Gly Ala His Glu
C16H24N6O7 (412.17063939999997)
Gly Glu Ala His
C16H24N6O7 (412.17063939999997)
Gly Glu His Ala
C16H24N6O7 (412.17063939999997)
Gly His Ala Glu
C16H24N6O7 (412.17063939999997)
Gly His Glu Ala
C16H24N6O7 (412.17063939999997)
His Ala Ala Asp
C16H24N6O7 (412.17063939999997)
His Ala Asp Ala
C16H24N6O7 (412.17063939999997)
His Ala Glu Gly
C16H24N6O7 (412.17063939999997)
His Ala Gly Glu
C16H24N6O7 (412.17063939999997)
His Asp Ala Ala
C16H24N6O7 (412.17063939999997)
His Glu Ala Gly
C16H24N6O7 (412.17063939999997)
His Glu Gly Ala
C16H24N6O7 (412.17063939999997)
His Gly Ala Glu
C16H24N6O7 (412.17063939999997)
His Gly Glu Ala
C16H24N6O7 (412.17063939999997)
Pro Cys Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Cys Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Pro Cys
C18H28N4O5S (412.17803180000004)
Cinalukast
C23H28N2O3S (412.18205380000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
C26H24N2O3 (412.17868339999995)
Promethazine hcl
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
C26H24N2O3 (412.17868339999995)
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
C18H28N4O5S (412.17803180000004)
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
Brucein E
Ultiva
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
C23H28N2O3S (412.18205380000006)
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H24N2O3 (412.17868339999995)
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
Desmethyl cariprazine
C20H30Cl2N4O (412.17965499999997)
Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].
HIF1-IN-3
C26H24N2O3 (412.17868339999995)
HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid
4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-2-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,3r,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
2-[(benzylsulfanyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
C24H28O4S (412.17082080000006)