Exact Mass: 551.1513072

Exact Mass Matches: 551.1513072

Found 86 metabolites which its exact mass value is equals to given mass value 551.1513072, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benamicin C

11-O-Demethylpradimicinone II

C27H21NO12 (551.1063706)


   

N-Acetyl-N6,N6,O-tridemethylpuromycin-5-phosphate

N-Acetyl-N6,N6,O-tridemethylpuromycin-5-phosphate

C21H26N7O9P (551.1529556)


   

Delphinidin 3-(6'-malonyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C24H23O15+ (551.1036908)


Delphinidin 3-(6-malonyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)

   

Bosentan

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide

C27H29N5O6S (551.1838454000001)


Bosentan is a dual endothelin receptor antagonist important in the treatment of pulmonary artery hypertension (PAH). It is licensed in the United States, the European Union and other countries by Actelion Pharmaceuticals for the management of PAH under the trade name Tracleer®. Bosentan is used to treat pulmonary hypertension by blocking the action of endothelin molecules that would otherwise promote narrowing of the blood vessels and lead to high blood pressure. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.

   

Simmondsin 2'-ferulate

2-{[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C26H33NO12 (551.2002658000001)


Simmondsin 2-ferulate is found in coffee and coffee products. Simmondsin 2-ferulate is a constituent of the seeds of jojoba Constituent of the seeds of jojoba. Simmondsin 2-ferulate is found in coffee and coffee products, fats and oils, and nuts.

   

Haloperidol glucuronide

(2S,3S,4S,5R)-6-{[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H31ClFNO8 (551.1722128)


Haloperidol glucuronide is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)

   

6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

C17H30NO17P (551.12513)


6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.

   
   
   
   

6-Hydroxycyanidin 3-(6-malonylglucoside)

3- [ [ 6-O- (Carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,6,7-trihydroxy-1-benzopyrylium

C24H23O15 (551.1036908)


   
   

Bosentan

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide

C27H29N5O6S (551.1838454000001)


C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 2738 CONFIDENCE standard compound; INTERNAL_ID 8515 Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.

   

Cys Asp Glu Trp

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Cys Asp Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Cys Glu Asp Trp

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Cys Glu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Cys Trp Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Cys Trp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Asp Cys Glu Trp

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Asp Glu Cys Trp

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Glu Trp Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Asp Trp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Cys Asp Trp

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Cys Trp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Glu Asp Cys Trp

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Asp Trp Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Trp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Glu Trp Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Trp Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Trp Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   
   

benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate

benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate

C31H25N3O7 (551.1692419999999)


   

Simmondsin 2'-ferulate

2-{[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C26H33NO12 (551.2002658000001)


   

Delphinidin 3-(6-malonylglucoside)

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

C24H23O15+ (551.1036908)


   
   

TERT-BUTYL 4-(6-((5-(2-(7-CHLORO-1H-INDOL-4-YL)VINYL)THIAZOL-2-YL)AMINO)-2-METHYLPYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

TERT-BUTYL 4-(6-((5-(2-(7-CHLORO-1H-INDOL-4-YL)VINYL)THIAZOL-2-YL)AMINO)-2-METHYLPYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

C27H30ClN7O2S (551.1870110000001)


   

3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-2-Naphthalenecarboxamide

3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-2-Naphthalenecarboxamide

C31H25N3O5S (551.151484)


   

2-Oxazolidinone, 3-[6-[2-[(2,6-dichlorophenyl)Methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1, 3-benzodioxin-6-yl)-, (5R)-

2-Oxazolidinone, 3-[6-[2-[(2,6-dichlorophenyl)Methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1, 3-benzodioxin-6-yl)-, (5R)-

C28H35Cl2NO6 (551.184131)


   

4,6-Bis(diphenylphosphino)-10H-phenoxazine

4,6-Bis(diphenylphosphino)-10H-phenoxazine

C36H27NOP2 (551.1567792000001)


   

N,N-Bis([1,1-biphenyl]-4-yl)-4-bromo-[1,1-biphenyl]-4-amine

N,N-Bis([1,1-biphenyl]-4-yl)-4-bromo-[1,1-biphenyl]-4-amine

C36H26BrN (551.1248496)


   

Thiothixene dihydrochloride dihydrate

Thiothixene dihydrochloride dihydrate

C23H35Cl2N3O4S2 (551.1445930000001)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   
   

6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

C17H30NO17P (551.12513)


6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products. 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.

   
   

7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C21H27N8O6S2+ (551.1494902000001)


   

(4E)-4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(4E)-4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   
   

(3-5)-2-deoxy-Thymidylyl-2-deoxy-adenosine

(3-5)-2-deoxy-Thymidylyl-2-deoxy-adenosine

C22H30N7O8P (551.189339)


   

6-Hydroxycyanidin 3-(6-malonylglucoside)

6-Hydroxycyanidin 3-(6-malonylglucoside)

C24H23O15+ (551.1036908)


   
   
   

6-[1-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[1-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H33NO12 (551.2002658000001)


   

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C21H27N8O6S2+ (551.1494902000001)


   

(2R,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2R,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

11-O-Demethylpradimicinone II

11-O-Demethylpradimicinone II

C27H21NO12 (551.1063706)


   

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

C24H23O15+ (551.1036908)


   
   
   

BE1218

BE1218

C30H30FNO4S2 (551.1600192000001)


BE1218 is a liver X receptor (LXR) inverse agonist with IC50 values of 9 nM and 7 nM against LXRα and LXRβ, respectively[1].

   

Delphinidin 3-malonylglucoside

Delphinidin 3-(6'-malonylglucoside)

C24H23O15 (551.1036908)


   

(2r)-2-[({2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl}(hydroxy)methylidene)amino]propanoic acid

(2r)-2-[({2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl}(hydroxy)methylidene)amino]propanoic acid

C27H21NO12 (551.1063706)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

C26H33NO12 (551.2002658000001)


   

(2r)-2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

(2r)-2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

C27H21NO12 (551.1063706)


   

2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

C27H21NO12 (551.1063706)


   

bethogenon

NA

C24H27N2O13 (551.1513072)


{"Ingredient_id": "HBIN018363","Ingredient_name": "bethogenon","Alias": "NA","Ingredient_formula": "C24H27N2O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30653","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl (1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl (1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C23H29N5O11 (551.1863484)


   

(2r,3r,4s,5s,6r)-2-{[(1r,2e,3s,4r,5s)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r,4s,5s,6r)-2-{[(1r,2e,3s,4r,5s)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C26H33NO12 (551.2002658000001)


   

(4s,5r,6s)-4-{[(1s)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

(4s,5r,6s)-4-{[(1s)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

C26H33NO12 (551.2002658000001)


   

(4s,5r,6s)-4-{[(1r)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

(4s,5r,6s)-4-{[(1r)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

C26H33NO12 (551.2002658000001)


   

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)-n-(2-sulfoethyl)pyrrolidine-2-carboximidic acid

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)-n-(2-sulfoethyl)pyrrolidine-2-carboximidic acid

C16H29N3O14S2 (551.1090894)


   

methyl 5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl 5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C23H29N5O11 (551.1863484)


   

(2r,3r,4s,5r,6r)-2-{[(1r,2e,3s,4r,5s)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r,4s,5r,6r)-2-{[(1r,2e,3s,4r,5s)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C26H33NO12 (551.2002658000001)


   

methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C23H29N5O11 (551.1863484)


   

4-[(2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

4-[(2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

C26H33NO12 (551.2002658000001)


   

n-(3-hydroxy-1-{[hydroxy((2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy)phosphoryl]oxy}butan-2-yl)ethanimidic acid

n-(3-hydroxy-1-{[hydroxy((2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy)phosphoryl]oxy}butan-2-yl)ethanimidic acid

C18H34NO16P (551.1615134)


   

methyl (1s,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl (1s,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C23H29N5O11 (551.1863484)


   

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

C26H33NO12 (551.2002658000001)