Exact Mass: 412.21
Exact Mass Matches: 412.21
Found 313 metabolites which its exact mass value is equals to given mass value 412.21
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Abscisic alcohol 11-glucoside
Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits.
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is found in alcoholic beverages. 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is a constituent of hops
Adapalene
Adapalene is a topical retinoid primarily used in the treatment of acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. It is currently marketed by Galderma under the trade names Differin in some countries, and Adaferin in India. [Wikipedia] D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
3-[5-[(Dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
(2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
Sonchuside C
Sonchuside c belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sonchuside c is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sonchuside c can be found in chicory, which makes sonchuside c a potential biomarker for the consumption of this food product.
3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
(3R)-3-beta-D-glucopyranosyloxy-5-phenylvaleric acid n-butyl ester
11beta,13-dihydrocostunolide-14-O-beta-D-glucopyranoside
(1R,7R,10S)-11-hydroxyguai-4-ene-3,8-dione beta-D-glucopyranoside
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-2-O-beta-D-glucoside
2-alpha-O-beta-D-glucopyranosyl-5alpha,11alphaH-eudesma-4(15)-en-12,8beta-olide|2alpha-O-beta-D-glucopyranosyleudesm-4(15)-en-12,8beta-olide
(6S*,8aS*)-3,5,6,7,8,8a-hexahydro-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3-oxo-naphthalen-1-yl beta-D-glucopyranoside|carandoside
1beta-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
7alpha (H)-eudesmane-4,11(12)-diene-3-one-2beta-hydroxy-13-beta-D-glucopyranoside
1beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4,11(13)-dien-12-oic acid|alatoside H
(1S,4S,5R,6R,9S)-13-O-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
3??,6??,8??-Triacetoxy-4??,5??:1??,10??-diepoxygermacrane
3-O-acetyl-4,5-O-(3-methylvaleryl)-and (2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and <2-methylbutyryl>-shikimic acid methyl ester
3beta-[(beta-D-glucopyranosyl)oxy]-11alphaH-eudesm-4(14)-en-12,8beta-olide
3-carboxy-2-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid I
nhatrangin A
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
(3,5-Di-tert.-butyl-4-hydroxy-benzyl)-beta-D-glucopyranosid-uronsaeure (?)|<3,5-Di-tert.-butyl-4-hydroxy-benzyl>-beta-D-glucopyranosid-uronsaeure (?)
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-1-O-beta-D-glucoside
C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside
Ala His Ser Val
Ala His Val Ser
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5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
Abscisic alcohol 11-glucoside
Urea, N-cyclopentyl-N-(2,4-difluorophenyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]- (9CI)
Ametantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
N2-(4-METHOXYPHENYL)-N4,N6-DI-M-TOLYL-1,3,5-TRIAZINE-2,4,6-TRIAMINE
3,5-dimethylmorpholine-4-carboxamidine hemisulfate salt
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
N-{5-[4-(4-Methylpiperazin-1-YL)phenyl]-1H-pyrrolo[2,3-B]pyridin-3-YL}nicotinamide
ADAPALENE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
(3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum and Pittocaulon praecox.
1-[2-[(3-Cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
(3R,3aS,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[(3R)-3-benzylpiperazin-1-yl]-4-(4-imidazol-1-ylphenoxy)pyrimidine
2-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[6,5-b]furan-2-one
6-hydroxy-4a,5-dimethyl-3-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
2-[(2r,4s,4as,8s)-4a,8-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]prop-2-enoic acid
(3s,3as,11as)-3,10-dimethyl-6-({[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
butyl 5-phenyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoate
3-[(3,4-dihydroxypentanoyl)oxy]-7-(3-hydroxyphenyl)-7-methoxy-2,4-dimethylheptanoic acid
[4-(acetyloxy)-5,7-dihydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.0¹,⁵]dodecan-6-yl]methyl butanoate
(4s,4ar,7as,7br)-4-hydroxy-6,6,7b-trimethyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,2h,4h,4ah,5h,7ah-cyclobuta[e]inden-7-one
(1as,1bs,6as,7s,7ar)-1b,4-dimethyl-7-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1ah,5h,6h,6ah,7h,7ah-azuleno[1,2-b]oxiren-2-one
1-hydroxy-5,5,8a-trimethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4a,6,7,8-tetrahydro-4h-naphthalene-1,2-dicarbaldehyde
3,6,10-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
3,6-dimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
methyl 3-(acetyloxy)-4-[(2-methylbutanoyl)oxy]-5-[(3-methylpentanoyl)oxy]cyclohex-1-ene-1-carboxylate
2-(4a,8-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl)prop-2-enoic acid
8,14-dihydroxy-6-protoilluden-1-one; 8β-form,14-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN013545","Ingredient_name": "8,14-dihydroxy-6-protoilluden-1-one; 8\u03b2-form,14-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "NA","Ingredient_weight": "412.47","OB_score": "NA","CAS_id": "250698-75-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7395","PubChem_id": "NA","DrugBank_id": "NA"}
alatoside c
{"Ingredient_id": "HBIN015046","Ingredient_name": "alatoside c","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "412.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "840","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11015134","DrugBank_id": "NA"}
alatoside d
{"Ingredient_id": "HBIN015047","Ingredient_name": "alatoside d","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "CC1=CCCC2(C1(CC(CC2)C(=C)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "412.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11026030","DrugBank_id": "NA"}