Exact Mass: 412.1594
Exact Mass Matches: 412.1594
Found 224 metabolites which its exact mass value is equals to given mass value 412.1594
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Dicaffeoylputrescine
Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.
Garcimangosone C
Garcimangosone C is found in fruits. Garcimangosone C is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone C is found in fruits.
11b,13-Dihydrolactucopicrin
11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.
Uvarigranol C
CID 24721471 is a natural product found in Uvaria grandiflora with data available.
[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
cis-12a-Hydroxyrot-2-enonic acid
dalcochinin
11beta,13-dihydrolactucopicrin
A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.
4,6,9-Trihydroxy-2-(1-hydroxy-1-methylethyl)-11-(3-methyl-2-butenyl-)-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one
(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione
1-O-butanoyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|nonioside P
1,3,8-Trihydroxy-2-(3-methyl-2-butenyl)-4-(3-methyl-3-hydroxybutanoyl)-9H-xanthene-9-one
4-(3,7-dimethyl-6-hydroxy-2,7-octadienyl)-1,3,5,8-tetrahydroxyxanthone|garcihombronone B
(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3,4-methylenedioxyflavanone
An extended flavonoid that is 3,4-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
jerantinine D
An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)
C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]
Cys Gly His Pro
Cys Gly Pro His
Cys His Gly Pro
Cys His Pro Gly
Cys Pro Gly His
Cys Pro His Gly
Gly Cys His Pro
Gly Cys Pro His
Gly His Cys Pro
Gly His Pro Cys
Gly Pro Cys His
Gly Pro His Cys
Gly Ser Ser Tyr
Gly Ser Tyr Ser
Gly Tyr Ser Ser
His Cys Gly Pro
His Cys Pro Gly
His Gly Cys Pro
His Gly Pro Cys
His Pro Cys Gly
His Pro Gly Cys
Pro Cys Gly His
Pro Cys His Gly
Pro Gly Cys His
Pro Gly His Cys
Pro His Cys Gly
Pro His Gly Cys
Ser Gly Ser Tyr
Ser Gly Tyr Ser
Ser Ser Gly Tyr
Ser Ser Tyr Gly
Ser Tyr Gly Ser
Ser Tyr Ser Gly
Tyr Gly Ser Ser
Tyr Ser Gly Ser
Tyr Ser Ser Gly
Dicaffeoylputrescine
Garcimangosone C
1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID
(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID
Decloxizine (dihydrochloride)
Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.
ethane-1,2-diol,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
Atr kinase inhibitor AZD6738
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(Z)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
7-Methyl-14-morpholin-4-yl-11-thia-3,8,13-triazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),13,15(20)-tetraene-4,9-dione
N-(2-fluorophenyl)-2-oxo-2-[(2E)-2-{2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(8-quinolinylsulfonyl)amino]acetamide
1-(4-isopropylphenyl)-5-[(2-phenyl-5-pyrimidinyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
3-[2-(2-Hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
7-Benzyloxy-2,3-dihydro-2,2-dimethyl-O,6-BI(4H-1-benzopyran)-4-one
(3as,4r,8r,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2s,3s)-2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
methyl (12r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
(2r)-4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
methyl (1s,12r,19r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-en-1-yl)-1h,2h-furo[3,2-a]xanthen-11-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
5-[(benzoyloxy)methyl]-4-ethoxy-5,6-dihydroxycyclohex-2-en-1-yl benzoate
4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
1,4-dimethyl (3e)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
(3r)-3,6,8,11-tetrahydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-1,10-dioxatetraphen-5-one
10,11-dimethoxynareline
{"Ingredient_id": "HBIN000011","Ingredient_name": "10,11-dimethoxynareline","Alias": "NA","Ingredient_formula": "C22H24N2O6","Ingredient_Smile": "CC=C1C2CC3C4=NC5=CC(=C(C=C5C4(C2C(=O)OC)C6C1N3OC6O)OC)OC","Ingredient_weight": "412.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730876","DrugBank_id": "NA"}
11β,13-dihydrolactucopicrin
{"Ingredient_id": "HBIN000358","Ingredient_name": "11\u03b2,13-dihydrolactucopicrin","Alias": "NA","Ingredient_formula": "C23H24O7","Ingredient_Smile": "CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}