Exact Mass: 428.1882
Exact Mass Matches: 428.1882
Found 304 metabolites which its exact mass value is equals to given mass value 428.1882
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Garcinone D
Garcinone D is a natural product found in Garcinia morella, Garcinia dulcis, and other organisms with data available. From Garcinia mangostana (mangosteen). Garcinone D is found in fruits and purple mangosteen. Garcinone D is found in fruits. Garcinone D is from Garcinia mangostana (mangosteen).
3'-(1'-(3-Methylbutanoyl))-angeloyl vaginidiol
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils. 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is a constituent of the roots of Angelica archangelica (angelica). Constituent of the roots of Angelica archangelica (angelica). 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils, herbs and spices, and green vegetables.
3-Isomangostin hydrate
3-Isomangostin hydrate is found in fruits. 3-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 3-Isomangostin hydrate is found in fruits.
Artoflavanone
Artoflavanone is found in fruits. Artoflavanone is a constituent of Artocarpus heterophyllus (jackfruit)
Heteroflavanone B
Heteroflavanone B is found in fruits. Heteroflavanone B is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone B is found in jackfruit and fruits.
Edulisin V
Edulisin V is found in green vegetables. Edulisin V is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin V is found in green vegetables.
Pyridinoline
Derived from collagen cross-links formed between adjacent hydroxylysine residues in type I and type II collagen of bone and cartilage respectively. Released into serum during bone resorption Pyridinoline is a breakdown product of bone collagen. It can be used as a bone marker to measure osteoclastic activity.
1-Isomangostin hydrate
1-Isomangostin hydrate is found in fruits. 1-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen)
Cratoxylone
Praeruptorin E
Praeruptorin E is a natural product found in Musineon divaricatum with data available. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1]. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1].
Cratoxylone
Cratoxylone is a natural product found in Garcinia cowa, Pentadesma butyracea, and other organisms with data available.
Wulongensin A
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Praeruptorin
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Isomajdine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Annotation level-1
3,6,8-trihydroxy-1-[(2Z)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]-2-methoxy-9H-xanthen-9-one|butyraxanthone D
3beta-hydroxy-8alpha-(3,4-dimethoxybenzoyloxy)-11beta,13-dihydro-1alphaH,5alphaH,6betaH,7alphaH-guai-4(15),10(14)-dien-6,12-olide
3-[[5,7-dihydroxy-2,2-dimethyl-6-(2-methyl-1-oxopropyl)-2 h -1-benzopyran-8-yl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
(+)-cis-(3S,4S)-3,4-diisovalerylkhellactone|peujaponisin
(2R,4S)-2-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-2,4-pentanediol
3-[[2,3-dihydro-4,6-dihydroxy-2-(1-methylethenyl)-5-(2-methyl-1-oxopropyl)-7-benzofuranyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
1,3,7,9-tetrahydroxy-2,8-dimethyl-4,6-di(2-methylbutanoyl)-dibenzofuran
(19S)-17,19-epoxy-10,11-dimethoxy-7-oxo-1,7-dihydro-(20alphaH)-2xi,6-cyclo-6,7-seco-coryn-16-ene-16-carboxylic acid methyl ester|(2S,3S,15S,19S,20S)-isoreserpiline pseudoindoxyl|10,11-dimethoxy-19alpha-methyl-7-oxo-1,7-dihydro-(20alpha)-18-oxa-2xi,6-cyclo-6,7-seco-yohimb-16-ene-16-carboxylic acid methyl ester|Isoreserpilin-pseudoindoxyl|Isoreserpilin-Psi-indoxyl|isoreserpiline pseudoindoxyl
3(S)-Angeroyloxy-4(R)-isovaleryloxy-3,4-dihydroxanthyletin (Praeruptorin III)|AD-I
6beta-angeloyloxy-9beta-methacryloyloxy-8-epizinamultifluoride
Isocarapanaubine
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Majdine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
Elegantine
Origin: Plant; Formula(Parent): C23H28N2O6; Bottle Name:Isomajdine; PRIME Parent Name:Isomajdine; PRIME in-house No.:V0302; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids PRIME Parent Name:Isomajdine; Origin: Plant; Formula(Parent): C23H28N2O6; Bottle Name:Isomajdine; PRIME in-house No.:V0302; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_major
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_99.4\\%
Ala Ala His Met
Ala Ala Met His
Ala Cys His Val
Ala Cys Val His
Ala His Ala Met
Ala His Cys Val
Ala His Met Ala
Ala His Val Cys
Ala Met Ala His
Ala Met His Ala
Ala Val Cys His
Ala Val His Cys
Cys Ala His Val
Cys Ala Val His
Cys Gly His Ile
Cys Gly His Leu
Cys Gly Ile His
Cys Gly Leu His
Cys His Ala Val
Cys His Gly Ile
Cys His Gly Leu
Cys His Ile Gly
Cys His Leu Gly
Cys His Val Ala
Cys Ile Gly His
Cys Ile His Gly
Cys Leu Gly His
Cys Leu His Gly
Cys Val Ala His
Cys Val His Ala
Asp Pro Pro Thr
Asp Pro Thr Pro
Asp Thr Pro Pro
Glu Pro Pro Ser
Glu Pro Ser Pro
Glu Ser Pro Pro
Gly Cys His Ile
Gly Cys His Leu
Gly Cys Ile His
Gly Cys Leu His
Gly His Cys Ile
Gly His Cys Leu
Gly His Ile Cys
Gly His Leu Cys
Gly Ile Cys His
Gly Ile His Cys
Gly Leu Cys His
Gly Leu His Cys
His Ala Ala Met
His Ala Cys Val
His Ala Met Ala
His Ala Val Cys
His Cys Ala Val
His Cys Gly Ile
His Cys Gly Leu
His Cys Ile Gly
His Cys Leu Gly
His Cys Val Ala
His Gly Cys Ile
His Gly Cys Leu
His Gly Ile Cys
His Gly Leu Cys
His Ile Cys Gly
His Ile Gly Cys
His Leu Cys Gly
His Leu Gly Cys
His Met Ala Ala
His Val Ala Cys
His Val Cys Ala
Ile Cys Gly His
Ile Cys His Gly
Ile Gly Cys His
Ile Gly His Cys
Ile His Cys Gly
Ile His Gly Cys
Leu Cys Gly His
Leu Cys His Gly
Leu Gly Cys His
Leu Gly His Cys
Leu His Cys Gly
Leu His Gly Cys
Met Ala Ala His
Met Ala His Ala
Met His Ala Ala
Pro Asp Pro Thr
Pro Asp Thr Pro
Pro Glu Pro Ser
Pro Glu Ser Pro
Pro Pro Asp Thr
Pro Pro Glu Ser
Pro Pro Ser Glu
Pro Pro Thr Asp
Pro Ser Glu Pro
Pro Ser Pro Glu
Pro Thr Asp Pro
Pro Thr Pro Asp
Ser Glu Pro Pro
Ser Pro Glu Pro
Ser Pro Pro Glu
Thr Asp Pro Pro
Thr Pro Asp Pro
Thr Pro Pro Asp
Val Ala Cys His
Val Ala His Cys
Val Cys Ala His
Val Cys His Ala
Val His Ala Cys
Val His Cys Ala
1-Isomangostin hydrate
Artoflavanone
garcinone D
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol
Edulisin V
3-Isomangostin Hydrate
8,8-Dimethyl-9-[(3-methylbutanoyl)oxy]-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 3-methyl-2-butenoate
(S)-N-(2-HYDROXY-2-METHYL-1-PHENYL-PROPYL)-4-METHYL-BENZENESULFONAMIDE
L-Tyrosine,N-[(phenylmethoxy)carbonyl]-L-valyl-, methyl ester
8-(4-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-1-YL)-2-OXASPIRO[4.5]DECAN-1-ONE
Olmesartan lactone impurity
Olmesartan lactone impurity is a cyclic ester impurity of Olmesartan. Olmesartan is an angiotensin II receptor (AT1R) antagonist and has the potential for high blood pressure study[1][2].
ADL5859 HCl
ADL-5859 hydrochloride (compound 20) is a selective and orally active δ opioid receptor (DOR) agonist with an Ki and an EC50 value of 0.84 and 20 nM, respectively. ADL-5859 hydrochloride also shows inhibitory activity to hERG channel with an IC50 value of 78 μM. ADL-5859 hydrochloride can be used for the research of pain[1][2].
butanedioic acid,sulfo-,4-dodecyl 1-(2-propenyl)ester,sodium salt
pseudoephedrine sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Ephedrine sulfate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
N-[2-(2,4-Diaminopyrido[2,3-D]pyrimidin-7-Yl)-2-Methylpropyl]-4-Phenoxybenzamide
2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanone
3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanone
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
Methyl (1S,4aS,5aR,6R,10aS)-6,7-dimethoxy-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
[4-[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
11-{[(E)-furan-2-ylmethylidene]amino}-3-hexyl-2-methyl-3,11-dihydro-4H-pyrimido[5,4:4,5]pyrrolo[2,3-b]quinoxalin-4-one
1-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
1-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
methyl (1S,6R)-6,7-dimethoxy-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
(2-hydroxy-3-phosphonooxypropyl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] hexanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] heptanoate
cratoxylumxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 6 and 7, 3-methylbut-2-en-1-yl group at position 2, methoxy group at position 3, and a 3-hydroxy-3-methylbutyl group at position 8. It is isolated from the stems of Cratoxylum cochinchinense and exhibits anticancer activity.
GSK2194069
GSK2194069 is a potent inhibitor of β-ketoyl reductase (KR) of fatty acid synthase (FASN), with an IC50 value of 7.7 nM. GSK2194069 shows specifically inhibitory effect on FAS expressing cancer cells, by acting potent efficacy on acetoacetyl-CoA, NADPH with IC50 or Ki values of 4.8 nM and 5.6 nM, respectively[1][2][3].
(9r,10r)-8,8-dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2z)-2-methylbut-2-enoate
3,6,8-trihydroxy-1-[(3s)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]-2-methoxyxanthen-9-one
methyl (1's,3r,4'as,5'as,10'as)-2-hydroxy-6,7-dimethoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(9s,10s)-8,8-dimethyl-9-[(3-methylbutanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl 3-methylbut-2-enoate
(2s)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-[(8r,9s)-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl (2e)-2-methylbut-2-enoate
2-methyl-1-[3,5,11,13-tetrahydroxy-6,10-dimethyl-12-(2-methylbutanoyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]butan-1-one
3'(s)-angeroyloxy-4'(r)-isovaleryloxy-3',4'-di-hydroxanthyletin
{"Ingredient_id": "HBIN009717","Ingredient_name": "3'(s)-angeroyloxy-4'(r)-isovaleryloxy-3',4'-di-hydroxanthyletin","Alias": "NA","Ingredient_formula": "C24H28O7","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1239","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}