Exact Mass: 588.1001

Exact Mass Matches: 588.1001

Found 47 metabolites which its exact mass value is equals to given mass value 588.1001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Kolaflavanone

3,3,4,5,5,7,7-Heptahydroxy-4-methoxy-3,8-biflavanone

C31H24O12 (588.1268)


A biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity.

   

GDP-4-amino-4,6-dideoxy-alpha-D-mannose

GDP-4-amino-4,6-dideoxy-alpha-D-mannose; GDP-alpha-D-perosamine

C16H26N6O14P2 (588.0982)


   

Cytidylyl-(3',5')-guanosine

{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}({[4-hydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinate

C19H25N8O12P (588.1329)


   

Kolaflavanone

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C31H24O12 (588.1268)


   

[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

{[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy})phosphinate

C19H25N8O12P (588.1329)


   

4,6-O-(S)-hexahydroxydiphenoylsalicin

4,6-O-(S)-hexahydroxydiphenoylsalicin

C27H24O15 (588.1115)


   

Dalmaisione A

Dalmaisione A

C28H28O14 (588.1479)


   

Dalmaisione C

Dalmaisione C

C28H28O14 (588.1479)


   

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

C28H28O14 (588.1479)


   

8-demethyl-8-L-digitoxosyltetracenomycin C

8-demethyl-8-L-digitoxosyltetracenomycin C

C28H28O14 (588.1479)


   
   

Hopeachinol B

Hopeachinol B

C35H24O9 (588.142)


   

cleyeratannin C

cleyeratannin C

C27H24O15 (588.1115)


   

7-O-Glucopyranuronosylaklavinone

7-O-Glucopyranuronosylaklavinone

C28H28O14 (588.1479)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C28H28O14 (588.1479)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C28H28O14 (588.1479)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

C28H28O14 (588.1479)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000849006]

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000849006]

C28H28O14 (588.1479)


   
   

11-(perfluoro-n-octyl)undec-10-en-1-ol

11-(perfluoro-n-octyl)undec-10-en-1-ol

C19H21F17O (588.1321)


   

Cytidyl-2-5-phospho-guanosine

Cytidyl-2-5-phospho-guanosine

C19H25N8O12P (588.1329)


   
   

[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C16H26N6O14P2 (588.0982)


   

[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

C19H25N8O12P (588.1329)


   

Guanylyl-(3,5)-cytidine

Guanylyl-(3,5)-cytidine

C19H25N8O12P (588.1329)


   

Triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate

Triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate

C30H30F2O6S2 (588.1452)


   

N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

C27H26Cl2N4O5S (588.1001)


   

N-[(2R,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

N-[(2R,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

C27H26Cl2N4O5S (588.1001)


   

N-[(2S,4aR,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

N-[(2S,4aR,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

C27H26Cl2N4O5S (588.1001)


   

N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

C27H26Cl2N4O5S (588.1001)


   

UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(2-)

UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(2-)

C17H26N4O15P2-2 (588.087)


   

Gln-AMS (TFA)

Gln-AMS (TFA)

C17H23F3N8O10S (588.121)


Gln-AMS (TFA) is a type Ia aminoacyl-tRNA synthetase (AARS) inhibitor. Gln-AMS inhibits glutaminyl-tRNA synthetase (GlnRS) with a Ki of 1.32 μM.

   

HTH-02-006

HTH-02-006

C25H29IN6O3 (588.1346)


HTH-02-006 is a NUAK2 inhibitor (IC50?=?126?nM). HTH-02-006 reduces levels of phosphorylated MYPT1 in HuCCT-1 cells. HTH-02-006 inhibits YAP-driven cell proliferation, hepatomegaly and tumorigenesis. HTH-02-006 also has antifibrotic protective effect[1][2].

   

(10s,11r,12r,13s,15r)-3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaene-8,18-dione

(10s,11r,12r,13s,15r)-3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaene-8,18-dione

C27H24O15 (588.1115)


   

methyl 3-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl 3-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C28H28O14 (588.1479)


   

methyl (7r,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2s)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

methyl (7r,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2s)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

C31H24O12 (588.1268)


   

methyl (6ar,7s,10ar)-3-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl (6ar,7s,10ar)-3-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C28H28O14 (588.1479)


   

methyl 3,6-dihydroxy-2-{2,7,10,14,16-pentahydroxy-5-methyl-9,11-dioxopentacyclo[10.7.2.0¹,¹⁰.0³,⁸.0¹³,¹⁸]henicosa-3,5,7,13,15,17,20-heptaene-15-carbonyl}benzoate

methyl 3,6-dihydroxy-2-{2,7,10,14,16-pentahydroxy-5-methyl-9,11-dioxopentacyclo[10.7.2.0¹,¹⁰.0³,⁸.0¹³,¹⁸]henicosa-3,5,7,13,15,17,20-heptaene-15-carbonyl}benzoate

C31H24O12 (588.1268)


   

methyl (6ar,7s,10ar)-3-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl (6ar,7s,10ar)-3-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C28H28O14 (588.1479)


   

9-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,10-dioxatetraphene-11,12-dione

9-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,10-dioxatetraphene-11,12-dione

C28H28O14 (588.1479)


   

methyl (7r,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

methyl (7r,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

C31H24O12 (588.1268)


   

methyl 3,6-dihydroxy-2-[(1s,2s,10s,12s)-2,7,10,14,16-pentahydroxy-5-methyl-9,11-dioxopentacyclo[10.7.2.0¹,¹⁰.0³,⁸.0¹³,¹⁸]henicosa-3,5,7,13,15,17,20-heptaene-15-carbonyl]benzoate

methyl 3,6-dihydroxy-2-[(1s,2s,10s,12s)-2,7,10,14,16-pentahydroxy-5-methyl-9,11-dioxopentacyclo[10.7.2.0¹,¹⁰.0³,⁸.0¹³,¹⁸]henicosa-3,5,7,13,15,17,20-heptaene-15-carbonyl]benzoate

C31H24O12 (588.1268)


   

methyl (1r,7r,13s,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2s)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

methyl (1r,7r,13s,15s)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2s)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

C31H24O12 (588.1268)


   

methyl 11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

methyl 11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

C31H24O12 (588.1268)


   

4-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,10-dioxatetraphene-11,12-dione

4-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,10-dioxatetraphene-11,12-dione

C28H28O14 (588.1479)


   

3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaene-8,18-dione

3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaene-8,18-dione

C27H24O15 (588.1115)