Exact Mass: 530.0849
Exact Mass Matches: 530.0849
Found 74 metabolites which its exact mass value is equals to given mass value 530.0849,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dTDP-3-oxo-4,6-dideoxy-D-glucose
dTDP-3-oxo-4,6-dideoxy-D-glucose; dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose; dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucopyranose
dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose
dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose; dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose
6-O-malonyl-3-O-beta-D-glucopyranosyl-6,6a-dehydromaackiain
6-O-malonyl-3-O-beta-D-glucopyranosyl-6,6a-dehydromaackiain
Ustilaginoidin B
Ustilaginoidin B
A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one and 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-benzo[g]chromen-4-one.
(8R,15S)-15-acetoxy-4,11,14-trihydroxy-6,9-dimethyl-3,7-dioxo-7,8-dihydro-3H-8r,14bc-methano-naphtho[1,2:6,7]cyclohepta[de]isochromene-12,13-dicarboxylic acid anhydride|(8S,16S)-16-acetoxy-4,11,15-trihydroxy-6,9-dimethyl-8H-8r,15bc-methano-benzo[de]cyclohepta[1,2-g;3,4,5-de]diisochromene-3,7,12,14-tetraone|Xenoclauxin
(8R,15S)-15-acetoxy-4,11,14-trihydroxy-6,9-dimethyl-3,7-dioxo-7,8-dihydro-3H-8r,14bc-methano-naphtho[1,2:6,7]cyclohepta[de]isochromene-12,13-dicarboxylic acid anhydride|(8S,16S)-16-acetoxy-4,11,15-trihydroxy-6,9-dimethyl-8H-8r,15bc-methano-benzo[de]cyclohepta[1,2-g;3,4,5-de]diisochromene-3,7,12,14-tetraone|Xenoclauxin
2-(2-[4-(3-BENZYLOXY-PHENYLSULFANYL)-2-CHLORO-PHENYL]-ETHYL)-2-FLUORO-MALONIC ACID DIETHYL ESTER
2-(2-[4-(3-BENZYLOXY-PHENYLSULFANYL)-2-CHLORO-PHENYL]-ETHYL)-2-FLUORO-MALONIC ACID DIETHYL ESTER
((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl trihydrogen diphosphate
((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl trihydrogen diphosphate
dTDP-beta-L-daunosamine(1-)
dTDP-beta-L-daunosamine(1-)
A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-daunosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-)
dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-)
[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3S,6R)-3-hydroxy-6-methyl-4-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3S,6R)-3-hydroxy-6-methyl-4-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoate
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
4-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1,3-disulfonic acid
4-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1,3-disulfonic acid
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
A dTDP-sugar having 4-dehydro-2,6-dideoxy-alpha-D-glucose as the sugar component.
4-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-5-(2,4,6-trihydroxyphenoxy)benzene-1,2,3-triol
4-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-5-(2,4,6-trihydroxyphenoxy)benzene-1,2,3-triol
6,7-dihydroxy-3-methoxy-8-[2-oxo-2h-1-benzo-pyran-7-(o-β-d-glucopyranosyl)-8-yl]-2h-1-benzopyran-2-one
NA
{"Ingredient_id": "HBIN012070","Ingredient_name": "6,7-dihydroxy-3-methoxy-8-[2-oxo-2h-1-benzo-pyran-7-(o-\u03b2-d-glucopyranosyl)-8-yl]-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C25H22O13","Ingredient_Smile": "COC1=CC2=CC(=C(C(=C2OC1=O)C3=C(C=CC4=C3OC(=O)C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5994","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
10,15,16-trihydroxy-8-methoxy-3-methyl-1,9,14-trioxo-3,4,6,7-tetrahydro-2-oxahexaphen-7-yl acetate
10,15,16-trihydroxy-8-methoxy-3-methyl-1,9,14-trioxo-3,4,6,7-tetrahydro-2-oxahexaphen-7-yl acetate
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-{8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-7-yl}phenoxy)oxan-2-yl]methoxy}propanoic acid
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-{8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-7-yl}phenoxy)oxan-2-yl]methoxy}propanoic acid
2-[3,5-dihydroxy-2,4-bis(3,4,5-trihydroxyphenoxy)phenoxy]benzene-1,3,5-triol
2-[3,5-dihydroxy-2,4-bis(3,4,5-trihydroxyphenoxy)phenoxy]benzene-1,3,5-triol
(2r,3r)-5,6,8-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one
(2r,3r)-5,6,8-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one
(1r,3r,4r,7r,8s,12s,13s)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
(1r,3r,4r,7r,8s,12s,13s)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
(2s,3r,4s,5s,6r)-2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2e)-3-[23-(carboxymethyl)-5,16-dihydroxy-3,10,14,21-tetraoxo-22-oxapentacyclo[11.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]tetracosa-1,4,6,8,12,15,17,19-octaen-12-yl]prop-2-enoic acid
(2e)-3-[23-(carboxymethyl)-5,16-dihydroxy-3,10,14,21-tetraoxo-22-oxapentacyclo[11.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]tetracosa-1,4,6,8,12,15,17,19-octaen-12-yl]prop-2-enoic acid
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol
6,7-dihydroxy-3-methoxy-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
6,7-dihydroxy-3-methoxy-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
5,6,8-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one
5,6,8-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one
3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid
3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid
6,7-dihydroxy-3-methoxy-7'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
6,7-dihydroxy-3-methoxy-7'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
4,5,6-trihydroxy-2,3-dimethyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}cyclohexa[g]chromen-8-one
4,5,6-trihydroxy-2,3-dimethyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}cyclohexa[g]chromen-8-one
4,5,6-trihydroxy-2-methyl-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxocyclohexa[g]chromen-9-yl]cyclohexa[g]chromen-8-one
4,5,6-trihydroxy-2-methyl-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxocyclohexa[g]chromen-9-yl]cyclohexa[g]chromen-8-one
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid
(1r,3r,4r,7r,8s,12s,13r)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
(1r,3r,4r,7r,8s,12s,13r)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione
