Exact Mass: 530.0941

Exact Mass Matches: 530.0941

Found 145 metabolites which its exact mass value is equals to given mass value 530.0941, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-4-oxo-2,6-dideoxy-L-allose

dTDP-4-dehydro-2,6-dideoxy-beta-L-glucose

C16H24N2O14P2 (530.0703)

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

C16H24N2O14P2 (530.0703)

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

C16H24N2O14P2 (530.0703)

3-Caffeoyl-4-feruloylquinic acid

3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

3-Caffeoyl-4-feruloylquinic acid is found in citrus. 3-Caffeoyl-4-feruloylquinic acid is a constituent of the peel Citrus reticulata (mandarin). Constituent of the peel Citrus reticulata (mandarin). 3-Caffeoyl-4-feruloylquinic acid is found in citrus.

4-O-Caffeoyl-3-O-feruloylquinic acid

4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

4-O-Caffeoyl-3-O-feruloylquinic acid is found in coffee and coffee products. 4-O-Caffeoyl-3-O-feruloylquinic acid is a constituent of coffee beans. Constituent of coffee beans. 3-Feruloyl-4-caffeoylquinic acid is found in coffee and coffee products.

Formononetin 7-(6'-methylmalonylglucoside)

1-Methyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl propanedioic acid

C26H26O12 (530.1424)

Formononetin 7-(6-methylmalonylglucoside) is found in herbs and spices. Formononetin 7-(6-methylmalonylglucoside) is isolated from leaves of Trifolium pratense (red clover

1-Caffeoyl-5-feruloylquinic acid

(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

1-Caffeoyl-5-feruloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

1-Feruloyl-5-caffeoylquinic acid

(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

1-Feruloyl-5-caffeoylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Luteolin 3-methyl ether 7-(6-crotonylglucoside)

C26H26O12 (530.1424)

Macranthoin G

(-)-3,5-Dicaffeoylquinic methyl ester

C26H26O12 (530.1424)

A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.

Gulsamanin

C25H22O13 (530.106)

3,4-Dicaffeoyl quinic acid

(-)-3,4-Dicaffeoyl quinic acid

C26H26O12 (530.1424)

Luteolin 7-glucoside-4-(Z-2-methyl-2-butenoate)

7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-[3-hydroxy-4-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]phenyl]-4H-1-benzopyran-4-one

C26H26O12 (530.1424)

MCULE-8382253991

C26H26O12 (530.1424)

C20H28Cl2O12

C20H28Cl2O12 (530.0958)

3-[bis(3,4-methylenedioxyphenyl)methyl]-4-(beta-D-glucopyranosyloxy-methyl)-2(5H)-furanone|juspurpurin

C26H26O12 (530.1424)

Tetrafuhalol D

C24H18O14 (530.0697)

Peuchloridin

C24H28Cl2O9 (530.111)

seragakinone A

C26H26O12 (530.1424)

5,2,6-trihydroxy-7-methoxyflavone-2-O-(6-O-trans-crotonyl-beta-D-glucopyranoside)

C26H26O12 (530.1424)

Leucophenicin hexaacetate

C26H26O12 (530.1424)

1,3-di-O-caffeoyl quinic acid methyl ester

C26H26O12 (530.1424)

matsudone A

C26H26O12 (530.1424)

A glycosyloxyflavone that is 5,3,4-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2,2-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor.

daphnoretin 8-O-beta-D-glucopyranoside

C25H22O13 (530.106)

C26H26O12

C26H26O12 (530.1424)

6-O-malonyl-3-O-beta-D-glucopyranosyl-6,6a-dehydromaackiain

C25H22O13 (530.106)

4,5-Di-O-caffeoylquinic acid methyl ester

C26H26O12 (530.1424)

3,4-Di-O-caffeoylquinic acid methyl ester

methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)

methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate is a natural product found in Vitex quinata, Petasites japonicus, and other organisms with data available.

pseudotetrafuhalol-A|Tatrafuhalol A

C24H18O14 (530.0697)

Ustilaginoidin B

C28H18O11 (530.0849)

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.

WS 79089C

C29H22O10 (530.1213)

cholistaquinate

C26H26O12 (530.1424)

quercetin-3-O-(2-O-tigloyl)-alpha-L-rhamnopyranoside

C26H26O12 (530.1424)

quercetin-3-O-(3-O-tigloyl)-alpha-L-rhamnopyranoside

C26H26O12 (530.1424)

Tetrafuhalol C

C24H18O14 (530.0697)

Tetrafuhalol B

C24H18O14 (530.0697)

(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

C28H18O11 (530.0849)

formononetin 7-O-glucoside-6-O-malonate

C26H26O12 (530.1424)

5,3-dihydroxy-4-O-angeloxyflavone-7-O-beta-D-glucopyranoside|5,3-dihydroxy-4-O-angeloylflavone-7-O-beta-D-glucopyranoside|luteolin-7-O-beta-D-glucopyranoside

C26H26O12 (530.1424)

Thermopsoside, crotonoyl

C26H26O12 (530.1424)

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.150

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

NCGC00385740-01!(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

Xipamide O-glucuronide

C21H23ClN2O10S (530.0762)

Formononetin 7-(6''-methylmalonylglucoside)

1-methyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl propanedioate

C26H26O12 (530.1424)

4-O-Caffeoyl-3-O-feruloylquinic acid

4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

3-Caffeoyl-4-feruloylquinic acid

3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

1-Caffeoyl-5-feruloylquinic acid

(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.

1-Feruloyl-5-caffeoylquinic acid

(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

mordant brown 1

C22H17N7NaO6S+ (530.0859)

CHLORO[2-(DI-T-BUTYLPHOSPHINO)BIPHENYL]GOLD(I)

C20H27AuClP (530.1204)

AMP PNP

C10H13Li4N6O12P3 (530.0445)

2-(2-[4-(3-BENZYLOXY-PHENYLSULFANYL)-2-CHLORO-PHENYL]-ETHYL)-2-FLUORO-MALONIC ACID DIETHYL ESTER

C28H28ClFO5S (530.133)

Direct pure yellow 5G

C24H19N4NaO5S2 (530.0695)

Tris(2-methoxyphenyl)bismuthine

C21H21BiO3 (530.1294)

Mordant Green 26

C23H15N4NaO8S (530.0508)

((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl trihydrogen diphosphate

C17H17FN6O9P2 (530.0516)

luteolin 7-O-beta-D-glucoside-4-(Z-2-methyl-2-butenoate)

C26H26O12 (530.1424)

An enoate ester obtained by the formal condensation of the 4-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid.

dTDP-beta-L-daunosamine(1-)

C16H26N3O13P2- (530.0941)

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-2-deoxy-beta-L-fucose(2-)

C16H24N2O14P2-2 (530.0703)

dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-)

C16H26N3O13P2- (530.0941)

dTDP-beta-L-olivose

C16H24N2O14P2-2 (530.0703)

dTDP-alpha-D-oliose

C16H24N2O14P2-2 (530.0703)

dTDP-beta-L-digitoxose

C16H24N2O14P2-2 (530.0703)

[(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

C16H24N2O14P2-2 (530.0703)

[(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

C16H26N3O13P2- (530.0941)

[(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

C16H24N2O14P2 (530.0703)

TDP-2-deoxy-dihydrostreptose

C16H24N2O14P2-2 (530.0703)

N-3-fumaramoyl-(S)-2,3-diaminopropanoyl-adenylate

C17H23N8O10P (530.1275)

[[(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

C17H23N8O10P (530.1275)

2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide

C23H26N6O3S3 (530.1228)

biochanin A 7-O-beta-D-glucoside 6-O-malonate(2-)

C25H22O13-2 (530.106)

1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate

C24H28F2O7S2 (530.1244)

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

C23H25F3N2O7S (530.1334)

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

C23H25F3N2O7S (530.1334)

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

C23H25F3N2O7S (530.1334)

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

C23H25F3N2O7S (530.1334)

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

C23H25F3N2O7S (530.1334)

dTDP-3-dehydro-4,6-dideoxy-D-glucose

C16H24N2O14P2 (530.0703)

dTDP-4-dehydro-2,6-dideoxy-D-glucose

C16H24N2O14P2 (530.0703)

4-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1,3-disulfonic acid

C25H26N2O7S2 (530.1181)

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

dTDP-4-dehydro-2,6-dideoxy-beta-L-glucose

C16H24N2O14P2 (530.0703)

Formononetin 7-(6-methylmalonylglucoside)

C26H26O12 (530.1424)

dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose

C16H24N2O14P2 (530.0703)

A dTDP-sugar having 4-dehydro-2,6-dideoxy-alpha-D-glucose as the sugar component.

dTDP-4-oxo-2,6-dideoxy-glucose

C16H24N2O14P2 (530.0703)

methyl (3r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)

4-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-5-(2,4,6-trihydroxyphenoxy)benzene-1,2,3-triol

C24H18O14 (530.0697)

4,5-di-O-caffeoylquinic acid methyl ester

4,5-di-O-caffeoyl quinic acid methyl ester

C26H26O12 (530.1424)

{"Ingredient_id": "HBIN010034","Ingredient_name": "4,5-di-O-caffeoylquinic acid methyl ester","Alias": "4,5-di-O-caffeoyl quinic acid methyl ester","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "530.5 g/mol","OB_score": "1.727368517","CAS_id": "NA","SymMap_id": "SMIT05211","TCMID_id": "42168","TCMSP_id": "MOL003077","TCM_ID_id": "NA","PubChem_id": "10052718","DrugBank_id": "NA"}

4-dicaffeoylquinic acid methyl ester

C26H26O12 (530.1424)

{"Ingredient_id": "HBIN010326","Ingredient_name": "4-dicaffeoylquinic acid methyl ester","Alias": "NA","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37454","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6,7-dihydroxy-3-methoxy-8-[2-oxo-2h-1-benzo-pyran-7-(o-β-d-glucopyranosyl)-8-yl]-2h-1-benzopyran-2-one

C25H22O13 (530.106)

{"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"}