Exact Mass: 716.3673
Exact Mass Matches: 716.3673
Found 29 metabolites which its exact mass value is equals to given mass value 716.3673,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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
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
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
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).
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
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
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
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
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
Neocasomorphin
Neocasomorphin
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
[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
Amataine
Amataine
A polycyclic indole alkaloid that is obtained from the root bark of Voacanga africana.
methyl 12-(2-hydroxyethyl)-14-{[12-(2-hydroxyethyl)-10-(methoxycarbonyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaen-14-yl]methyl}-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
methyl 12-(2-hydroxyethyl)-14-{[12-(2-hydroxyethyl)-10-(methoxycarbonyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaen-14-yl]methyl}-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
10-[(2s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2s,4s,5r,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(2s,4e)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
10-[(2s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2s,4s,5r,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(2s,4e)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-(hex-4-en-2-yl)-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-(hex-4-en-2-yl)-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
methyl (1's,3's,12r,18s,21'r,22r,24'r,26'r)-18'-methoxy-6',15,25'-trioxa-8,10',19,20'-tetraazaspiro[hexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosane-18,22'-octacyclo[11.10.1.1¹,²¹.1³,¹⁰.0³,⁷.0¹⁴,¹⁹.0²⁰,²⁴.0¹³,²⁶]hexacosane]-2,4,6,9,14',16',18'-heptaene-10-carboxylate
methyl (1's,3's,12r,18s,21'r,22r,24'r,26'r)-18'-methoxy-6',15,25'-trioxa-8,10',19,20'-tetraazaspiro[hexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosane-18,22'-octacyclo[11.10.1.1¹,²¹.1³,¹⁰.0³,⁷.0¹⁴,¹⁹.0²⁰,²⁴.0¹³,²⁶]hexacosane]-2,4,6,9,14',16',18'-heptaene-10-carboxylate
10-[(2s,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2r,4s,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(4z)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
10-[(2s,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2r,4s,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(4z)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
