Exact Mass: 450.2227
Exact Mass Matches: 450.2227
Found 352 metabolites which its exact mass value is equals to given mass value 450.2227
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Nigakilactone E
Cortisol lactate
Ppack
Phenylalanyl-prolyl-arginine-chloromethyl ketone
7beta,10beta-diacetoxy-2alpha,5alpha,13alpha-trihydroxy-2(3->20)-abeo-taxa-4(20),11-dien-9-one
(1R,4aR,5S,6R,8S,8aR)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxofuran-3-yl)ethyl]-5,6-dimethylspiro[naphthalen-1(2H),2-oxiran]-8-ol|ajugadecumbenin A
16,18-Di-Ac-7,8,16,18-Tetrahydroxy-19-serrulatanoic acid
(1(10)E,4Z)-8beta-(angeloyloxy)-9alpha,13-diethoxy-6alpha,15-dihydroxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone|(2Z)-2-methylbut-2-enoic acid (3S,3aS,4S,5S,6E,10Z,11aR)-5-ethoxy-3-(ethoxymethyl)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-2-oxocyclodeca[b]furan-4-yl ester
3beta,7beta,15beta-trihydroxy-1alpha,11beta-diacetoxy-ent-kaur-16-en-6-one|nervonin E
3beta,19-diacetoxy-1alpha,6beta-dihydroxy-7,16-dioxo-ent-abieta-15(17)-ene|3beta-acetoxyeriocasin D
2-deangeloylarchangelolide|8alpha-(2-Methyl)butyryloxy-10beta,11alpha-diacetoxyslov-3-enolide
(1alpha,11beta,15beta)-1,6-diacetyloxy-11,15-dihydroxy-6,7-seco-ent-kaur-16-en-7,20-olide|isorubesin B
methyl 3,5-bis(3-methyl-2-butenyl)-4-O-(beta?D-glucopyranosyl)benzoate|methyl 4-O-beta-D-glucopyranosylnervogenate
1alpha,6alpha,7beta-triacetoxy-5alpha-hydroxy-12-oxocassa-13(14)-diene|caesalpin I
6beta-hydroxy-16alpha-ethoxymethyl-19-acetoxy-6,7-seco-6,20-epoxy-1a,7-olide-ent-kaurane-15-one|sculponeatin G
2alpha,10beta-diacetoxy-13alpha,20-epoxy-3alpha,11alpha;4alpha,12alpha-dicyclotaxane-5alpha,9alpha,13beta-triol|taxpropellane
1beta,7beta,13alpha-trihydroxy-6beta,15beta-diacetoxy-7alpha,20-epoxy-ent-kaur-16-ene|maoyecrystal L
(1S*,2S*,5Z,7S*,8R*,9S*,10S*,11R*,12R*,17R*)-2,9-diacetoxy-8,12-dihydroxybriara-5,13-dien-18-one|cavernulin B
6,17-Di-Ac-(ent-1alpha,6alpha,15alpha,16alpha)-7,20-Epoxy-1,6,7,15,16,17-Kauranehexol|Maoyerabdosin
ent-7beta,20-epoxy-1alpha,3alpha,6alpha,7alpha,15alpha-pentahydroxykaur-16-ene 6,15-diacetate (rabdolongin A)|Rabdolongin A
trans-2,3-bis(3,4,5-trimethoxybenzyl)-1,4-butanediol
(3E,7E)-2alpha,10beta-diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one
(1S,4S,5S,6R,7S,8S,9R,10S)-1,4-dihydroxy-6-isobutyroyloxy-8-tigloyloxyeudesman-9,12-olide|wedelolide A
durumolide G|rel-(1R,3S,4S,13R,14R,7E,11E)-3,18-diacetoxy-4,13-dihydroxycembra-7,11,15(17)-trien-16,14-olide
(3E,7E)-10beta,13alpha-diacetoxy-2alpha,5alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one
michaolide K
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
(12S)-6alpha,19-diacetoxy-12-hydroxy-4,18-epoxyneoclerod-13(14)-en-15,16-olide|6,19-diacetylteumassilin|ajugalide C|ajugalide-C
His Pro Pro Thr
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Leu Thr Ser Met
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Met Ile Thr Ser
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Met Leu Thr Ser
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Met Thr Ile Ser
Met Thr Leu Ser
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H-D-Pro-Phe-Arg-chloromethylketone trifluoroacetate salt
D-Pro-Phe-Arg-Chloromethylketone, a inhibitor of coagulation factor XII and plasma kallikrein, plays an important role in thrombosis and inflammation[1].
2-(butoxymethyl)oxirane,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate
Phenylalanyl-prolyl-arginine-chloromethyl ketone
2-[4,10-bis(carboxymethyl)-7-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
2-(2,5-dimethoxyanilino)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
(2R,3R,3aS,9bS)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(hydroxymethyl)-6-oxo-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide
(1R,9S,10S,11S)-N-(cyclohexylmethyl)-10-(hydroxymethyl)-6-oxo-12-(pyridine-3-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
N-[(2R,3S,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
N-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
N-[(2S,3S,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
(1R,9S,10S,11S)-12-benzoyl-10-(hydroxymethyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide
(1S,9R,10R,11R)-N-(cyclohexylmethyl)-10-(hydroxymethyl)-6-oxo-12-(pyridine-3-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
(1S,9R,10R,11R)-N-cyclobutyl-5-[3-(dimethylcarbamoyl)phenyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-12-benzoyl-10-(hydroxymethyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
(1R,9S,10S,11S)-N-cyclobutyl-5-[3-(dimethylcarbamoyl)phenyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
2-[(3R,6aR,8R,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
ST-836 (hydrochloride)
ST-836 hydrochloride (compound 34) is a potent dopamine receptor ligand with Ki values of 4.5 nM, 132 nM for D3 and D2, respectively. ST-836 hydrochloride has the potential for Parkinson’s disease[1].
3,6-dihydroxy-2,6-dimethyl-10-methylidene-8-[(2-methylpropanoyl)oxy]-11-oxo-12-oxatricyclo[7.3.1.0²,⁷]tridecan-13-yl 2-methylbut-2-enoate
[2-(acetyloxy)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-hexahydronaphthalen-1-yl]methyl acetate
(1s,3s,4ar,6as,7s,10ar,11as,11br)-3-(acetyloxy)-6a,7-dihydroxy-4,4,8,11b-tetramethyl-9-oxo-1h,2h,3h,4ah,5h,6h,7h,10ah,11h,11ah-phenanthro[3,2-b]furan-1-yl acetate
14-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-16-yl acetate
(1r,4ar,5s,6s,7r,8r,8as)-8-(acetyloxy)-5-[2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
(1r,2r,3r,4r,6s,8s,9r,10s,11s,13s)-6-(acetyloxy)-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
10-hydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylbut-2-enoate
15-(acetyloxy)-7,9,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-10-yl acetate
10-(acetyloxy)-9,13,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-yl acetate
(1r,2r,3r,4r,6s,8s,9s,10s,11s,13s)-6-(acetyloxy)-3,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
(1s,2r,3r,4r,7s,8z,12r,13s,14s)-14-(acetyloxy)-2,3-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-12-yl acetate
(1s,2s,3r,4r,7s,8z,12s,13s,14s)-14-(acetyloxy)-2,3-dihydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
[(1s,2r,4ar,5s,6r,8s,8ar)-2-(acetyloxy)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-hexahydronaphthalen-1-yl]methyl acetate
7-(acetyloxy)-3,6,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
6-(acetyloxy)-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
2α,7β-diacetoxy-5α,10β,13α-trihydroxy-2(3→20)abeotaxane-9-one
{"Ingredient_id": "HBIN005253","Ingredient_name": "2\u03b1,7\u03b2-diacetoxy-5\u03b1,10\u03b2,13\u03b1-trihydroxy-2(3\u219220)abeotaxane-9-one","Alias": "NA","Ingredient_formula": "C24H34O8","Ingredient_Smile": "CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)O)C(CC3OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5319","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3 e,7 e)-2α,10β-diacetoxy-5α,13α,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one
{"Ingredient_id": "HBIN008456","Ingredient_name": "(3 e,7 e)-2\u03b1,10\u03b2-diacetoxy-5\u03b1,13\u03b1,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one","Alias": "(3e,7e)-2alpha,10beta-diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one","Ingredient_formula": "C24H34O8","Ingredient_Smile": "CC1=CCC(C(=CC(C2CC(C(=C(C2(C)C)C(C1=O)OC(=O)C)C)OC(=O)C)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5322;30885","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β,13α-diacetoxy-2α,5α,10β-trihydroxy-2(3→20)abeotaxane-9-one
{"Ingredient_id": "HBIN013063","Ingredient_name": "7\u03b2,13\u03b1-diacetoxy-2\u03b1,5\u03b1,10\u03b2-trihydroxy-2(3\u219220)abeotaxane-9-one","Alias": "NA","Ingredient_formula": "C24H34O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β,9α-diacetoxy-5α,13α,14β-trihydroxy-10-oxo-taxa-4(20),11-diene
{"Ingredient_id": "HBIN013093","Ingredient_name": "7\u03b2,9\u03b1-diacetoxy-5\u03b1,13\u03b1,14\u03b2-trihydroxy-10-oxo-taxa-4(20),11-diene","Alias": "7beta,9alpha-diacetoxy-5alpha,13alpha,14beta-trihydroxy-10-oxotaxa-4(20),11-diene","Ingredient_formula": "C24H34O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5321;30884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adenanthin i
{"Ingredient_id": "HBIN014680","Ingredient_name": "adenanthin i","Alias": "NA","Ingredient_formula": "C24H34O8","Ingredient_Smile": "CC(=O)OC1CC(C2(C3C(CC4CC3(C(C(C2C1(C)C)O)OC(=O)C)C(=O)C4=C)O)C)O","Ingredient_weight": "450.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "613","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11091621","DrugBank_id": "NA"}