Exact Mass: 716.3536601999999

Exact Mass Matches: 716.3536601999999

Found 99 metabolites which its exact mass value is equals to given mass value 716.3536601999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Spinoside A

acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2-hydroxy-3-keto-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydrop

C39H56O12 (716.3771576)


   

Lyciumoside IX

3-oxo-3-[(3,4,5-trihydroxy-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C35H56O15 (716.3619026)


Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside IX is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside IX is found in coffee and coffee products. Lyciumoside IX is a constituent of Lycium chinense (Chinese boxthorn).

   

Neocasomorphin

(4S)-4-{[(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-5-[(2S)-2-{[(1S,2S)-1-carboxy-2-methylbutyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl]-5-oxopentanoate

C35H52N6O10 (716.3744732)


Neocasomorphin belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Neocasomorphin is a very strong basic compound (based on its pKa).

   

Manassantin B

2-{4-[5-(4-{[1-(2H-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol

C41H48O11 (716.3196458)


   

Val-glu-pro-ile-pro-tyr

4-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-5-(2-{[1-(2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-5-oxopentanoate

C35H52N6O10 (716.3744732)


   
   
   
   
   
   
   
   

5-(3-Methylamino-3-phenylpropanoyl)nicotaxine|O-(methylamino-3 phenyl-3 propionyl)-5alpha nicotaxine

5-(3-Methylamino-3-phenylpropanoyl)nicotaxine|O-(methylamino-3 phenyl-3 propionyl)-5alpha nicotaxine

C40H48N2O10 (716.3308788)


   

2-deoxy-vobtusine lactam|8-oxo-2-deoxy-vobtusine|Desoxyvobtusinlactam (2-Desoxyvobtusin-3-on)|ent-6beta,21;6beta,21-diepoxy-17-methoxy-8-oxo-2,3-didehydro-(7betaC4,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-pyrido[1,2,3:1,2,3]aspidospermidine]-3-carboxylic acid methyl ester

2-deoxy-vobtusine lactam|8-oxo-2-deoxy-vobtusine|Desoxyvobtusinlactam (2-Desoxyvobtusin-3-on)|ent-6beta,21;6beta,21-diepoxy-17-methoxy-8-oxo-2,3-didehydro-(7betaC4,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-pyrido[1,2,3:1,2,3]aspidospermidine]-3-carboxylic acid methyl ester

C43H48N4O6 (716.3573667999999)


   
   

7-acetyltrichilin A

7-acetyltrichilin A

C37H48O14 (716.3043908)


   
   

2,22beta-epoxy-2-deoxy-vobtusine|ent-6beta,21;2,4alpha;6beta,21-triepoxy-17-methoxy-2,3-didehydro-(7betaC4,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-pyrido[1,2,3:1,2,3]aspidospermidine]-3-carboxylic acid methyl ester|Quimbelin|Quimbeline

2,22beta-epoxy-2-deoxy-vobtusine|ent-6beta,21;2,4alpha;6beta,21-triepoxy-17-methoxy-2,3-didehydro-(7betaC4,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-pyrido[1,2,3:1,2,3]aspidospermidine]-3-carboxylic acid methyl ester|Quimbelin|Quimbeline

C43H48N4O6 (716.3573667999999)


   
   
   
   
   

Me glycoside,tetrabenzyl-3-O-alpha-D-Mannopyranosyl-D-mannose

Me glycoside,tetrabenzyl-3-O-alpha-D-Mannopyranosyl-D-mannose

C41H48O11 (716.3196458)


   
   

12-acetyltrichilin B|12-O-acetyltrichilin B

12-acetyltrichilin B|12-O-acetyltrichilin B

C37H48O14 (716.3043908)


   

Me glycoside 2,3,4,4-tetrabenzyl-6-O-alpha-D-Mannopyranosyl-D-mannose

Me glycoside 2,3,4,4-tetrabenzyl-6-O-alpha-D-Mannopyranosyl-D-mannose

C41H48O11 (716.3196458)


   

16-Desoxy-18-oxo-vobtusin|2-Deoxy-18-oxovobtusine|21-oxo-(2xi)-2-deoxy-vobtusine|ent-6beta,21-epoxy-6beta-hydroxy-17-methoxy-2,3-didehydro-(7betaC4,2xi,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-(pyrido[1,2,3:1,2,3]-21-nor-aspidospermidine)]-3,20-dicarboxylic acid 20-lactone 3-methyl ester

16-Desoxy-18-oxo-vobtusin|2-Deoxy-18-oxovobtusine|21-oxo-(2xi)-2-deoxy-vobtusine|ent-6beta,21-epoxy-6beta-hydroxy-17-methoxy-2,3-didehydro-(7betaC4,2xi,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-(pyrido[1,2,3:1,2,3]-21-nor-aspidospermidine)]-3,20-dicarboxylic acid 20-lactone 3-methyl ester

C43H48N4O6 (716.3573667999999)


   
   

1alpha,7alpha,11beta-triacetoxy-4alpha-carbomethoxy-12alpha-(2-methylbutanoyloxy)-14beta,15beta-epoxyhavanensin

1alpha,7alpha,11beta-triacetoxy-4alpha-carbomethoxy-12alpha-(2-methylbutanoyloxy)-14beta,15beta-epoxyhavanensin

C38H52O13 (716.3407741999999)


   
   

C36H44N8O8_Cyclo(glycyltryptophylprolylglycylvalylglycyltyrosyl)

NCGC00384484-01_C36H44N8O8_Cyclo(glycyltryptophylprolylglycylvalylglycyltyrosyl)

C36H44N8O8 (716.3281944)


   

Subsessiline

Subsessiline

C43H48N4O6 (716.3573667999999)


Annotation level-1

   

FYFKI

Phe-Tyr-Phe-Lys-Ile

C39H52N6O7 (716.3897282)


   
   

Lyciumoside IX

3-oxo-3-[(3,4,5-trihydroxy-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C35H56O15 (716.3619026)


   

4,4-((1E,1E)-ANTHRACENE-9,10-DIYLBIS(ETHENE-2,1-DIYL))BIS(N,N-DIPHENYLANILINE)

4,4-((1E,1E)-ANTHRACENE-9,10-DIYLBIS(ETHENE-2,1-DIYL))BIS(N,N-DIPHENYLANILINE)

C54H40N2 (716.3191320000001)


   

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1-{[2-(1-trityl-1H-tetra zol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylate

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1-{[2-(1-trityl-1H-tetra zol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylate

C45H44N6O3 (716.3474714)


   

ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C45H44N6O3 (716.3474714)


   

Tris(dipivaloylmethanato)dysprosium

Tris(dipivaloylmethanato)dysprosium

C33H60DyO6 (716.3681489999999)


   
   

manassantin B

(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

C41H48O11 (716.3196458)


Manassantin B is a lignan isolated from Saururus cernuus and Saururus chinensis and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a dimethoxybenzene, a member of benzodioxoles, a lignan, a member of oxolanes and a secondary alcohol. Manassantin B is a natural coumarin derivative that has been identified for its various biological functions, particularly in the context of cancer research and antiviral therapy. Its key biological roles include: Antitumor Activity: Manassantin B has shown potential in inhibiting the growth of cancer cells. It may interfere with signaling pathways that are crucial for tumor cell proliferation and survival, although the exact mechanisms are still under investigation. Antiviral Properties: This compound has demonstrated effectiveness against certain viruses, possibly by inhibiting viral replication or modulating the host’s immune response to the infection. Manassantin B could help in starving tumors of their blood supply. Modulation of Apoptosis: It may induce apoptosis, which is programmed cell death, in cancer cells. This is a mechanism by which the body eliminates unwanted or damaged cells, including cancerous ones. Inhibition of Kinases: Some studies suggest that Manassantin B can inhibit kinases, which are enzymes that play a role in cell signaling and are often overactive in cancer. It’s important to note that while Manassantin B shows promise in laboratory settings, its efficacy and safety in clinical settings are still being researched. The compound’s precise mechanisms of action and its potential as a therapeutic agent require further investigation.

   

Neocasomorphin

Neocasomorphin

C35H52N6O10 (716.3744732)


A six amino acid oligopeptide fragment of the human milk protein, beta-casein.

   
   
   
   
   
   
   
   

[1-acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C35H56O15 (716.3619026)


   

[1-butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C35H56O15 (716.3619026)


   

[1-hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C35H57O13P (716.3536601999999)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C35H57O13P (716.3536601999999)


   

[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C35H57O13P (716.3536601999999)


   

[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C36H60O12S (716.380528)


   

[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C35H57O13P (716.3536601999999)


   

[1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C35H57O13P (716.3536601999999)


   

[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(E)-undec-4-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(E)-undec-4-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C36H60O12S (716.380528)


   

[1-[(E)-dec-4-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[(E)-dec-4-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C35H57O13P (716.3536601999999)


   

Amataine

Amataine

C43H48N4O6 (716.3573667999999)


A polycyclic indole alkaloid that is obtained from the root bark of Voacanga africana.

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

16-benzyl-14,18,24-trihydroxy-3-(2-hydroxypropan-2-yl)-4,20-dimethyl-13-(sec-butyl)-1,4,10,11,14,17,20,26-octaazatricyclo[20.4.0.0⁶,¹¹]hexacos-17-ene-2,5,12,15,21-pentone

16-benzyl-14,18,24-trihydroxy-3-(2-hydroxypropan-2-yl)-4,20-dimethyl-13-(sec-butyl)-1,4,10,11,14,17,20,26-octaazatricyclo[20.4.0.0⁶,¹¹]hexacos-17-ene-2,5,12,15,21-pentone

C34H52N8O9 (716.3857062000001)


   

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

C37H48O14 (716.3043908)


   

(1r,2s)-2-{4-[(2r,3r,4r,5r)-5-(4-{[(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol

(1r,2s)-2-{4-[(2r,3r,4r,5r)-5-(4-{[(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol

C41H48O11 (716.3196458)


   

(1s,2r,3r,6e,8s,9s,10s,12r,16s)-9-{[(2s,3r,4s,6r)-3,4-dihydroxy-4-[(1s)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy}-2-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione

(1s,2r,3r,6e,8s,9s,10s,12r,16s)-9-{[(2s,3r,4s,6r)-3,4-dihydroxy-4-[(1s)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy}-2-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione

C36H60O14 (716.398286)


   

(1s,2s,3s,3as,4r,9r,10r,13s,13as)-3a,4,9,10,11-pentakis(acetyloxy)-3,13-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,7h,9h,10h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1s,2s,3s,3as,4r,9r,10r,13s,13as)-3a,4,9,10,11-pentakis(acetyloxy)-3,13-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,7h,9h,10h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate

C37H48O14 (716.3043908)


   

methyl 5-[9-hydroxy-10-(methoxycarbonyl)-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,14-tetraen-8-yl]-20-oxo-19-oxa-8,16-diazahexacyclo[8.8.2.2⁹,¹².0¹,⁹.0²,⁷.0¹²,¹⁶]docosa-2,4,6,13-tetraene-8-carboxylate

methyl 5-[9-hydroxy-10-(methoxycarbonyl)-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,14-tetraen-8-yl]-20-oxo-19-oxa-8,16-diazahexacyclo[8.8.2.2⁹,¹².0¹,⁹.0²,⁷.0¹²,¹⁶]docosa-2,4,6,13-tetraene-8-carboxylate

C42H44N4O7 (716.3209833999999)


   

[5,7,9,10,13-pentakis(acetyloxy)-2,4-dihydroxy-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadec-11-en-4-yl]methyl benzoate

[5,7,9,10,13-pentakis(acetyloxy)-2,4-dihydroxy-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadec-11-en-4-yl]methyl benzoate

C37H48O14 (716.3043908)