Exact Mass: 526.1264
Exact Mass Matches: 526.1264
Found 260 metabolites which its exact mass value is equals to given mass value 526.1264
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bromadiolone
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3656
Demethyloleuropein
Demethyloleuropein is found in fruits. Demethyloleuropein is present in olive fruits and the bark of Syringa vulgaris. Indicator of maturity in olives which increases as the fruit ripen Present in olive fruits and the bark of Syringa vulgaris. Indicator of maturity in olives which increases as the fruit ripens. Demethyloleuropein is found in olive and fruits.
Salcolin A
2-(3,4-dihydroxyphenyl)ethyl (1S,4aR,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
rel-(7R,8S)-(2,4,4,5-tetrahydroxychalcone)-(2->7,8->8)-2,4,4-trihydroxy-7,8-dihydrochalcone|urundeuvine C
20-O-beta-glucopyranosyl-18-hydroxycamptothecin|20-O-??-Glucopyranosyl 18-hydroxycamptothecin
8-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-8-hydroxybergapten
(-)-(6R,6aR,11bS)-11,11b-dihydroxy-9-methoxy-6a-(3-hydroxy-4-methoxyphenyl)-6-phenyl-2,3,5,6,6a,11b-hexahydro-1H-benzo[4,5]furo[2,3:4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-5-one|3-hydroxymarikarin
7-[(2-O-acetyl-beta-glucopyranosyl)oxy]-7-hydroxy-[8,8-bi-2H-1-benzopyran]-2,2-dione
lycopodone|rel-(7R, 8S)-tricin-4-O-(4-hydroxy-3-methoxyphenyl propanetriol)
3,4,5-trimethoxyphenyl-6-O-syringoyl-beta-D-glucopyranoside|oldhamioside
3,5,10,11-Tetrahydroxy-9-methoxy-13-(4-methoxybenzyl)-13H-8-oxabenzo[a]naphthacene-7,14-dione
2-[(benzoyloxy)methyl]-4-hydroxyphenyl-beta-D-glucopyranoside 3-(4-hydroxybenzoate)|symponoside
3-(2,4-dihydroxybenzoyl)-2,3-dihydro-4,6-dihydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl 2-(4-hydroxyphenyl)ethenyl ketone
alpha-Resorcyclic acid-mono-beta-D-glucoside peracetate
10-O-(3,4-dimethoxybenzoyl)catalposide|6-O-veratroylcatalpol|pakiside A|[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-dimethoxybenzoate
3-methoxy-2,4-di-O-methylgyrophoric acid|3-Methoxy-2,4-di-O-methylgyrophric acid
Patentiflorin A
Patentiflorin A is a natural product found in Justicia patentiflora with data available.
C24H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(3,4-dihydroxyphenyl)ethyl ester, (1S,4aR,7aR)
C24H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(4-hydroxyphenyl)ethyl] ester, (2S,3Z,4S)
C24H30O13_2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dimethoxybenzoate
(5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] 3,4-dimethoxybenzoate
Flavone base + 3O, 2MeO, O-guaiacylglycerol
Annotation level-3
(5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid_major
(5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid_50.9\\%
[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] 3,4-dimethoxybenzoate_major
Cys Glu Glu Phe
Cys Glu Phe Glu
Cys Phe Glu Glu
Asp Asp Asp Tyr
Asp Asp Phe Met
Asp Asp Met Phe
Asp Asp Tyr Asp
Asp Phe Asp Met
Asp Phe Met Asp
Asp Met Asp Phe
Asp Met Phe Asp
Asp Met Met Met
Asp Tyr Asp Asp
Glu Cys Glu Phe
Glu Cys Phe Glu
Glu Glu Cys Phe
Glu Glu Phe Cys
Glu Phe Cys Glu
Glu Phe Glu Cys
Phe Cys Glu Glu
Phe Asp Asp Met
Phe Asp Met Asp
Phe Glu Cys Glu
Phe Glu Glu Cys
Phe Met Asp Asp
Met Asp Asp Phe
Met Asp Phe Asp
Met Asp Met Met
Met Phe Asp Asp
Met Met Asp Met
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Tyr Asp Asp Asp
Demethyloleuropein
Larotrectinib Sulfate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155765 - TRK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
1,3-diphenyl-1,1,3,3-tetrakis(dimethylsiloxy)disiloxane
1,3-BIS(CHLOROMETHYL)-1,1,3,3-TETRAKIS(TRIMETHYLSILOXY)DISILOXANE
2-[4-[(Z)-[5-(4-chlorophenyl)-7-methyl-3-oxo-6-propan-2-yloxycarbonyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
N-methyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
(4S,5E,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
(-)-(7R,8S)-4,5,7-trihydroxy-3,3,5-trimethoxy-4,8-oxyflavonolignan-7,9-diol
A flavonolignan isolated from the stems of natural product found in Sinocalamus affinis.
(-)-(7S,8S)-4,5,7-trihydroxy-3,3,5-trimethoxy-4,8-oxyflavonolignan-7,9-diol
A flavonolignan isolated from the stems of Sinocalamus affinis.
4-chloro-N-[3-(4-fluorophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1-imidazolidinyl]benzamide
7-[[2-[5-Cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
17beta-estradiol 17-O-(3-sulfo-beta-D-glucuronate)
17beta-estradiol 3-O-(beta-D-glucuronate) 17-sulfate
4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
4-Methyl-2-oxochromen-7-yl {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl]oxy}acetate
A carboxylic ester obtained by formal condensation of that carboxy group of {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl]oxy}acetic acid with the hydroxy group of 7-hydroxy-4-methylchromen-2-one.
6-[2-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[2-[5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulate
(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid
Mycro 3
Mycro 3 is an orally active, potent and selective inhibitor of Myc-associated factor X (MAX) dimerization. Mycro 3 also inhibit DNA binding of c-Myc[1]. Mycro 3 could be used for the research of pancreatic cancer[2].
2-(4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
(2-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxyphenyl)methyl 2-hydroxybenzoate
4,5-dihydroxy-6-(hydroxymethyl)-2-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl benzoate
(1s,17r,20r,21s,30s)-5,7,20,25,30-pentahydroxy-27-methyl-22-oxaheptacyclo[15.13.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²⁴,²⁹]triaconta-3(16),4,6,8(13),10,14,18,24,26,28-decaene-9,12,23-trione
(1s,2r,4s,5r,10s,11r,13s,14r,15r,18r)-14-hydroxy-10,15-dimethyl-5-[(1s)-1-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
6-{[2-carboxy-6-(2,3-dihydroxypropoxy)-4-hydroxy-5-[(1-hydroxyethylidene)amino]oxan-3-yl]oxy}-3,4-dihydroxy-5-[(1-hydroxyethylidene)amino]oxane-2-carboxylic acid
4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid
(1s,17r,20r,21s,29s)-5,9,20,21,24,29-hexahydroxy-26-methylheptacyclo[15.12.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²³,²⁸]nonacosa-3,5,8,10,12,15,18,23,25,27-decaene-7,14,22-trione
16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
(1s,4ar,5s,6r,7s,7as)-6,7-dihydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
2-hydroxy-4-[2-hydroxy-6-methyl-4-(3,4,6-trimethoxy-2-methylbenzoyloxy)benzoyloxy]-6-methylbenzoic acid
(2-{[4-(benzoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxyphenyl)methyl 2-hydroxybenzoate
2-acetyl-1,5-dihydroxy-3-methyl-8-o(β-xylopy-ranosyl-(1→6)-o-(β-glucopyranosyl))naph-thalene
{"Ingredient_id": "HBIN005117","Ingredient_name": "2-acetyl-1,5-dihydroxy-3-methyl-8-o(\u03b2-xylopy-ranosyl-(1\u21926)-o-(\u03b2-glucopyranosyl))naph-thalene","Alias": "NA","Ingredient_formula": "C24H30O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "382","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-veratroyl-catalpol
{"Ingredient_id": "HBIN012731","Ingredient_name": "6-o-veratroyl-catalpol","Alias": "NA","Ingredient_formula": "C24H30O13","Ingredient_Smile": "COC1=C(C=C(C=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC","Ingredient_weight": "526.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22376","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "185862","DrugBank_id": "NA"}