Exact Mass: 450.2317
Exact Mass Matches: 450.2317
Found 349 metabolites which its exact mass value is equals to given mass value 450.2317
,
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
Remogliflozin A
Azadiradione
Azadiradione is a tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. It has a role as a plant metabolite, an antimycobacterial drug and an anti-inflammatory agent. It is a limonoid, a tetracyclic triterpenoid, an acetate ester, a cyclic terpene ketone and a member of furans. Azadiradione is a natural product found in Azadirachta indica, Cedrela odorata, and other organisms with data available. A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities.
3-Acetoxy-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-4,4,6a,12b-tetramethyl-9-phenyl-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
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
8-benzoyl-2,2-dimethyl-6-([E]-3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxychromane|otogirinin G
(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
(20S,22R)-27-hydroxy-1,4-dioxo-witha-2,5,16,24-tetraenolide
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
withahisolide D|[(20S,22R,24S,25S,26R)-22,26:24,25-diepoxy-7alpha,26-dihydroxy-17(13?18)-abeo-ergost-2,5,13,15,17-pentaen-1-one]
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
21alpha-hydroxy-20,22-dioxo-30(20-->21)abeo-21-desoxotingenone
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
8-Benzoyl-2-methyl-6-(3-methyl-2-butenyl)-2-(4-methyl-3-pentenyl)3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(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
C28H34O5_17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate
[(7R,8R,10R,13S)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
His Pro Pro Thr
His Pro Thr Pro
His Thr Pro Pro
Pro His Pro Thr
Pro His Thr Pro
Pro Pro His Thr
Pro Pro Thr His
Pro Thr His Pro
Pro Thr Pro His
Thr His Pro Pro
Thr Pro His Pro
Thr Pro Pro His
4,4-Tricyclo[3.3.1.13,7]decane-2,2-diyldiphenol - 2,2-[oxybis(methylene)]dioxirane (1:1)
17-Epiazadiradione
A limonoid that is the C-17 epimer of azadiradione. It has been isolated from Azadirachta indica.
N-cyclopentyl-2-imino-1-[3-(4-morpholinyl)propyl]-5-oxo-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
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
(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-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide
(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
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-pentadec-9-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-hexadec-9-enoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tridec-9-enoate
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
3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-9,11,12,12a,13,14-hexahydro-8h-picene-2,7,10-trione
[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
(4ar,5as,6ar,12ar,12br)-9-[(1s)-1-[(1s,2r,4s,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-12b-methyl-4h,5ah,6h,6ah,11h,12h,12ah-chryseno[6,6a-b]oxiren-1-one
(4ar,5as,6ar,12as,12br)-9-[(1s)-1-[(1s,2r,4r,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-12b-methyl-4h,5ah,6h,6ah,11h,12h,12ah-chryseno[6,6a-b]oxiren-1-one
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
(3s,4ar,6as,12br,14as,14bs)-3,10-dihydroxy-3,4a,6a,9,12b,14a-hexamethyl-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione
(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
(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1r,4r,5r)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h-cyclopenta[a]phenanthrene-9,11-dione
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"}