Exact Mass: 450.1971
Exact Mass Matches: 450.1971
Found 333 metabolites which its exact mass value is equals to given mass value 450.1971
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Geranylgeranyl-PP
Geranylgeranyl pyrophosphate, also known as geranylgeranyl-PP or GGPP, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. This compound belongs to the family of acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, GGPP is considered to be an isoprenoid lipid molecule. GGPP is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Geranylgeranyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. [HMDB]. Geranylgeranyl-PP is found in many foods, some of which are burdock, longan, calabash, and cloves.
ent-Copalyl diphosphate
Ent-copalyl diphosphate, also known as (-)-copalyl diphosphoric acid or 5a,9a,10b-labda-8(20),13-dien-15-yl diphosphate, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, ent-copalyl diphosphate is considered to be an isoprenoid lipid molecule. Ent-copalyl diphosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Ent-copalyl diphosphate can be found in a number of food items such as german camomile, sweet basil, eggplant, and cardoon, which makes ent-copalyl diphosphate a potential biomarker for the consumption of these food products.
Acotiamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
Terpentedienyl diphosphate
tuberculosinol diphosphate
(13E)-Labda-7,13-dien-15-yl diphosphate; (13E)-Labda-7,13-dienyl diphosphate
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
This compound belongs to the family of Acyclic Diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.
syn-Copalyl diphosphate
Syn-copalyl diphosphate is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, syn-copalyl diphosphate is considered to be an isoprenoid lipid molecule. Syn-copalyl diphosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Syn-copalyl diphosphate can be found in rice, which makes syn-copalyl diphosphate a potential biomarker for the consumption of this food product.
(2E)-3-methyl-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
phosphono [(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Sofalcone
Sofalcone belongs to the family of Chalcones and Dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Androsta-1,4-diene-17-carboxylicacid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, fluoromethyl ester, (11b,17a)-
2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone
Cediranib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents
Flutroline
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Geranylgeraniol diphosphate
Phosphono 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl hydrogen phosphate
11-Hydroxy-19-(3,4-dihydroxybenzoyloxy)-abieta-5,7,9(11),13-tetraene-12-one
1-N-methyl-3-methylamino-[N-butanoic acid-3-(9-methyl-8-propen-7-one)amide]benzo[f][1,7]naphthyridine-2-one
19-O-(3,4-dihydroxybenzoyl)-11,12-dihydroxy-20(10->5)-abeo-abieta-1(10),6,8,11,13-tetraene|plectranthol A
15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid|rel-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
(+)-(7R,7R,8S,8S)-40-hydroxy-3,3,4,5,5-pentamethoxy-7,7-epoxylignan-9,9-diol
4,9-Di(2-hydroxy-3-methoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
(2S)-6-(gamma,gamma-dimethylallyl)-5-hydroxy-3,4-dimethoxy-6,6-dimethylpyran<2,3:7,8>flavanone
10beta-hydroxy-8beta-tiglinoyloxy-1-O-methylhirsutinolide-13-O-acetate
O(C)c1c(OC)ccc(C=2C(=O)c3c(O)c(C/C=C(\C)/C)c(O)c(C/C=C(\C)/C)c3OC=2)c1
6-O-Methacrylate
6-O-Methacryloyltrilobolide is a natural product found in Sphagneticola trilobata with data available.
Ala His His Ser
Ala His Ser His
Ala Met Met Val
Ala Met Val Met
Ala Ser His His
Ala Val Met Met
Cys Cys Ile Ile
Cys Cys Ile Leu
Cys Cys Leu Ile
Cys Cys Leu Leu
Cys Ile Cys Ile
Cys Ile Cys Leu
Cys Ile Ile Cys
Cys Ile Leu Cys
Cys Lys Asn Ser
Cys Lys Ser Asn
Cys Leu Cys Ile
Cys Leu Cys Leu
Cys Leu Ile Cys
Cys Leu Leu Cys
Cys Met Val Val
Cys Asn Lys Ser
Cys Asn Ser Lys
Cys Ser Lys Asn
Cys Ser Asn Lys
Cys Val Met Val
Cys Val Val Met
Glu Thr Thr Thr
Phe Gly Met Pro
Phe Gly Pro Met
Phe Met Gly Pro
Phe Met Pro Gly
Phe Pro Gly Met
Phe Pro Met Gly
Gly Phe Met Pro
Gly Phe Pro Met
Gly His His Thr
Gly His Thr His
Gly Ile Met Met
Gly Leu Met Met
Gly Met Phe Pro
Gly Met Ile Met
Gly Met Leu Met
Gly Met Met Ile
Gly Met Met Leu
Gly Met Pro Phe
Gly Pro Phe Met
Gly Pro Met Phe
Gly Thr His His
His Ala His Ser
His Ala Ser His
His Gly His Thr
His Gly Thr His
His His Ala Ser
His His Gly Thr
His His Ser Ala
His His Thr Gly
His Ser Ala His
His Ser His Ala
His Thr Gly His
His Thr His Gly
Ile Cys Cys Ile
Ile Cys Cys Leu
Ile Cys Ile Cys
Ile Cys Leu Cys
Ile Gly Met Met
Ile Ile Cys Cys
Ile Leu Cys Cys
Ile Met Gly Met
Ile Met Met Gly
Lys Cys Asn Ser
Lys Cys Ser Asn
Lys Asn Cys Ser
Lys Asn Ser Cys
Lys Ser Cys Asn
Lys Ser Asn Cys
Leu Cys Cys Ile
Leu Cys Cys Leu
Leu Cys Ile Cys
Leu Cys Leu Cys
Leu Gly Met Met
Leu Ile Cys Cys
Leu Leu Cys Cys
Leu Met Gly Met
Leu Met Met Gly
Met Ala Met Val
Met Ala Val Met
Met Cys Val Val
Met Phe Gly Pro
Met Phe Pro Gly
Met Gly Phe Pro
Met Gly Ile Met
Met Gly Leu Met
Met Gly Met Ile
Met Gly Met Leu
Met Gly Pro Phe
Met Ile Gly Met
Met Ile Met Gly
Met Leu Gly Met
Met Leu Met Gly
Met Met Ala Val
Met Met Gly Ile
Met Met Gly Leu
Met Met Ile Gly
Met Met Leu Gly
Met Met Val Ala
Met Pro Phe Gly
Met Pro Gly Phe
Met Val Ala Met
Met Val Cys Val
Met Val Met Ala
Met Val Val Cys
Asn Cys Lys Ser
Asn Cys Ser Lys
Asn Lys Cys Ser
Asn Lys Ser Cys
Asn Ser Cys Lys
Asn Ser Lys Cys
Pro Phe Gly Met
Pro Phe Met Gly
Pro Gly Phe Met
Pro Gly Met Phe
Pro Met Phe Gly
Pro Met Gly Phe
Ser Ala His His
Ser Cys Lys Asn
Ser Cys Asn Lys
Ser His Ala His
Ser His His Ala
Ser Lys Cys Asn
Ser Lys Asn Cys
Ser Asn Cys Lys
Ser Asn Lys Cys
Thr Glu Thr Thr
Thr Gly His His
Thr His Gly His
Thr His His Gly
Thr Thr Glu Thr
Thr Thr Thr Glu
Val Ala Met Met
Val Cys Met Val
Val Cys Val Met
Val Met Ala Met
Val Met Cys Val
Val Met Met Ala
Val Met Val Cys
Val Val Cys Met
Val Val Met Cys
6β-Hydroxytriamcinolone acetonide
2-trans,6-cis,10-trans-geranylgeranyl diphosphate
Sofalcone
A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Tiomesterone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Leniolisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Timobesone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Cediranib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents
(Z,2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-phosphonopent-3-enoic acid
Phosphono 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl hydrogen phosphate
(+)-(7R,7R,8S,8S)-4-hydroxy-3,3,4,5,5-pentamethoxy-7,7-epoxylignan-9,9-diol
A lignan isolated from the stems of Sinocalamus affinis.
(2S)-6-(gamma,gamma-dimethylallyl)-5-hydroxy-3,4-dimethoxy-6,6-dimethylpyran[2,3:7,8]flavanone
An extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 5, methoxy groups at positions 3 and 4 , a prenyl group at position 6 and a gem-dimethylpyran ring fused across positions 7 and 8. Isolated from Lonchocarpus utilis and Lonchocarpus urucu, it acts as a NADH:ubiquinone reductase inhibitor.
methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
5-[4-(Diphenylmethyl)-1-piperazinyl]-2-(2-methoxyphenyl)-4-oxazolecarbonitrile
15,16-Epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-N-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-N-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(2S)-N-[(3R,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyl-2-oxo-1-prop-2-enyl-5-spiro[indole-3,2-oxolane]yl]-2-hydroxypropanamide
[(E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] phosphono hydrogen phosphate
[(E)-5-[(3aS,4R,5R,7aS)-4,5-dimethyl-7a-prop-1-en-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate
Acotiamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
(2E)-3-methyl-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
2-trans,6-trans,10-trans-Geranylgeranyl diphosphate
The all-trans-isomer of geranylgeranyl diphosphate.
(-)-Kolavenyl diphosphate
A diterpenyl phosphate that is the O-diphospho derivative of (-)-kolavenol
PD-168077 maleate
PD-168077 maleate is a selective dopamine D4 receptor agonist, with a Ki of 9 nM.
(4s,6s,7s,10r)-7-(acetyloxy)-3-[(acetyloxy)methyl]-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,6h,7h,8h,9h-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
(3ar,4r,5r,6s,6as,7s,9ar,9br)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(1r,2e,8s,10r,11s)-6-[(acetyloxy)methyl]-11-ethoxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate
[(1s,2r,5r,6s,8r,10s,13s,14r)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-5-yl]methyl benzoate
[(1s,4as)-5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2h-phenanthren-1-yl]methyl 3,4-dihydroxybenzoate
[3,4,5-trihydroxy-6-({8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl}oxy)oxan-2-yl]methyl formate
[hydroxy([(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy)phosphoryl]oxyphosphonic acid
9,10-dihydroxy-7-methoxy-3-(2,4,6,8-tetrahydroxynonyl)-3h,4h-naphtho[2,3-c]pyran-1-one
6-[(acetyloxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylbut-2-enoate
2,3-epoxycalealactone a
{"Ingredient_id": "HBIN004091","Ingredient_name": "2,3-epoxycalealactone a","Alias": "NA","Ingredient_formula": "C23H30O9","Ingredient_Smile": "CC1CC2C(C(C(C(C(=O)C3C1O3)(C)O)OC(=O)C(C)C)OC(=O)C(=C)C)C(=C)C(=O)O2","Ingredient_weight": "450.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7059","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11155148","DrugBank_id": "NA"}