Exact Mass: 721.3955

Exact Mass Matches: 721.3955

Found 142 metabolites which its exact mass value is equals to given mass value 721.3955, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Fumonisin B1

1,2,3-propanetricarboxylic acid, 1,-1-[1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl] ester

C34H59NO15 (721.3885)


Fumonisin B1 is from Fusarium moniliforme Fumonisin B1 is an inhibitor of ceramide synthase D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D013723 - Teratogens D004791 - Enzyme Inhibitors From Fusarium moniliforme

   

gamma2-Solamarine

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


gamma2-Solamarine is found in root vegetables. gamma2-Solamarine is an alkaloid from Solanum juzepczukii (bitter potato Alkaloid from Solanum juzepczukii (bitter potato). gamma2-Solamarine is found in root vegetables. Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1] Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1]

   

beta-Solanine

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


beta-Solanine is found in alcoholic beverages. beta-Solanine is an alkaloid from potato species (Solanum tuberosum and Solanum chacoense, Solanaceae). Alkaloid from potato subspecies (Solanum tuberosum and Solanum chacoense, Solanaceae). beta-Solanine is found in alcoholic beverages and potato.

   

Isofumonisin B1

2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


Isofumonisin B1 is from Fusarium moniliforme. From Fusarium moniliforme.

   
   
   

beta1-Solamargine

beta1-Solamargine

C39H63NO11 (721.4401)


   
   
   

24-Acetylaminofevicordin D-glucoside

24-Acetylaminofevicordin D-glucoside

C37H55NO13 (721.3673)


   
   
   

rubijervine 3-O-beta-D-glucopyranosyl-(4?1)-alpha-L-rhamnopyranoside

rubijervine 3-O-beta-D-glucopyranosyl-(4?1)-alpha-L-rhamnopyranoside

C39H63NO11 (721.4401)


   

4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl] nervogenic acid lindelofidine ester|nervosine III

4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl] nervogenic acid lindelofidine ester|nervosine III

C37H55NO13 (721.3673)


   

(3beta)-14-hydroxysolanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

(3beta)-14-hydroxysolanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

C39H63NO11 (721.4401)


   

carteriosulfonic acid A

carteriosulfonic acid A

C36H67NO11S (721.4435)


   
   

2-Amino-12,16-dimethyl-3,4,5,14,15-icosanepentaol 14,15-bis[3,4-bis(hydroxycarbonyl)butyrate]

2-Amino-12,16-dimethyl-3,4,5,14,15-icosanepentaol 14,15-bis[3,4-bis(hydroxycarbonyl)butyrate]

C34H59NO15 (721.3885)


   

Arg Glu Arg Val Tyr

Arg Glu Arg Val Tyr

C31H51N11O9 (721.3871)


   

Solasurine

(2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-piperidine]-16-yl]oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol

C39H63NO11 (721.4401)


   

2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

NCGC00384508-01!2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


   

fumonisin b1

fumonisin b1

C34H59NO15 (721.3885)


A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D013723 - Teratogens D004791 - Enzyme Inhibitors CONFIDENCE Reference Standard (Level 1)

   

Solanidine base + O-Hex-Hex

Solanidine base + O-Hex-Hex

C39H63NO11 (721.4401)


Annotation level-3

   

Macrofusine

fumonisin b1

C34H59NO15 (721.3885)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D013723 - Teratogens D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 5968

   

RERVY

Arg Glu Arg Val Tyr

C31H51N11O9 (721.3871)


   

Khasianine

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1] Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1]

   

Isofumonisin B1

2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


   

b-Solanine

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl}oxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


   

PKDdiA-PS

1-hexadecanoyl-2-(9-oxo-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphoserine

C34H60NO13P (721.3802)


   

Thulium,tris(2,2,6,6-tetramethyl-3,5-heptanedionato-kO3,kO5)-, (OC-6-11)-

Thulium,tris(2,2,6,6-tetramethyl-3,5-heptanedionato-kO3,kO5)-, (OC-6-11)-

C33H60O6Tm (721.3732)


   

fumonisin B6

fumonisin B6

C34H59NO15 (721.3885)


A fumonisin with formula C34H59NO14, originally isolated from Aspergillus niger and also found in unprocessed coffee beans. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins

   
   

13-[O(2)-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate O(6)-acetate

13-[O(2)-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate O(6)-acetate

C36H65O14- (721.4374)


   

2-[[(2R)-3-acetyloxy-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-3-acetyloxy-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C33H58N2O11PS+ (721.3499)


   

2-[[(2R)-2-acetyloxy-3-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-acetyloxy-3-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C33H58N2O11PS+ (721.3499)


   

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

C42H51N5O6 (721.3839)


   

1-O-(alpha-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine

1-O-(alpha-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine

C37H62F3NO9 (721.4376)


A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-trifluoromethyl)hexanoyl group attached to the nitrogen.

   

2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


   
   
   
   
   
   
   

SHexCer 17:3;2O/12:0;O

SHexCer 17:3;2O/12:0;O

C35H63NO12S (721.4071)


   

SHexCer 15:2;2O/14:1;O

SHexCer 15:2;2O/14:1;O

C35H63NO12S (721.4071)


   

SHexCer 16:2;2O/13:1;O

SHexCer 16:2;2O/13:1;O

C35H63NO12S (721.4071)


   

SHexCer 15:3;2O/14:0;O

SHexCer 15:3;2O/14:0;O

C35H63NO12S (721.4071)


   

SHexCer 17:2;2O/12:1;O

SHexCer 17:2;2O/12:1;O

C35H63NO12S (721.4071)


   

SHexCer 14:3;2O/15:0;O

SHexCer 14:3;2O/15:0;O

C35H63NO12S (721.4071)


   

SHexCer 13:1;2O/16:2;O

SHexCer 13:1;2O/16:2;O

C35H63NO12S (721.4071)


   

SHexCer 13:2;2O/16:1;O

SHexCer 13:2;2O/16:1;O

C35H63NO12S (721.4071)


   

SHexCer 14:2;2O/15:1;O

SHexCer 14:2;2O/15:1;O

C35H63NO12S (721.4071)


   

SHexCer 11:1;2O/18:2;O

SHexCer 11:1;2O/18:2;O

C35H63NO12S (721.4071)


   

SHexCer 16:3;2O/13:0;O

SHexCer 16:3;2O/13:0;O

C35H63NO12S (721.4071)


   

PI-Cer 16:2;2O/13:1;O

PI-Cer 16:2;2O/13:1;O

C35H64NO12P (721.4166)


   

PI-Cer 15:3;2O/14:0;O

PI-Cer 15:3;2O/14:0;O

C35H64NO12P (721.4166)


   

PI-Cer 17:2;2O/12:1;O

PI-Cer 17:2;2O/12:1;O

C35H64NO12P (721.4166)


   

PI-Cer 15:2;2O/14:1;O

PI-Cer 15:2;2O/14:1;O

C35H64NO12P (721.4166)


   

PI-Cer 14:2;2O/15:1;O

PI-Cer 14:2;2O/15:1;O

C35H64NO12P (721.4166)


   

PI-Cer 17:3;2O/12:0;O

PI-Cer 17:3;2O/12:0;O

C35H64NO12P (721.4166)


   

PI-Cer 14:3;2O/15:0;O

PI-Cer 14:3;2O/15:0;O

C35H64NO12P (721.4166)


   

PI-Cer 16:3;2O/13:0;O

PI-Cer 16:3;2O/13:0;O

C35H64NO12P (721.4166)


   

PI-Cer 13:2;2O/16:1;O

PI-Cer 13:2;2O/16:1;O

C35H64NO12P (721.4166)


   

PI-Cer 13:1;2O/16:2;O

PI-Cer 13:1;2O/16:2;O

C35H64NO12P (721.4166)


   
   

SHexCer 15:1;2O/15:1

SHexCer 15:1;2O/15:1

C36H67NO11S (721.4435)


   

SHexCer 16:1;2O/14:1

SHexCer 16:1;2O/14:1

C36H67NO11S (721.4435)


   

SHexCer 18:1;2O/12:1

SHexCer 18:1;2O/12:1

C36H67NO11S (721.4435)


   

SHexCer 17:1;2O/13:1

SHexCer 17:1;2O/13:1

C36H67NO11S (721.4435)


   

SHexCer 14:1;2O/16:1

SHexCer 14:1;2O/16:1

C36H67NO11S (721.4435)


   

2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H60NO10P (721.3955)


   

(2S)-2-amino-3-[[3-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H60NO10P (721.3955)


   

(2S)-2-amino-3-[[3-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H60NO10P (721.3955)


   

(2S)-2-amino-3-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H60NO10P (721.3955)


   

(2S)-2-amino-3-[[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H60NO10P (721.3955)


   

(2R)-2-[2-[(5R,6R,7S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

(2R)-2-[2-[(5R,6R,7S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

PS O-18:0/11:3;O3

PS O-18:0/11:3;O3

C35H64NO12P (721.4166)


   
   
   
   
   
   
   
   
   
   
   
   

IPC 13:1;O2/16:2;O

IPC 13:1;O2/16:2;O

C35H64NO12P (721.4166)


   

ST 29:5;O8;HexNAc

ST 29:5;O8;HexNAc

C37H55NO13 (721.3673)


   

(2r)-n-[(1s)-1-{[(1s)-1-{[(1r)-1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl](methyl)carbamoyl}ethyl]-3-phenyl-2-[(2s,4r)-n,2,4-trimethyl-9-oxodecanamido]propanimidic acid

(2r)-n-[(1s)-1-{[(1s)-1-{[(1r)-1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl](methyl)carbamoyl}ethyl]-3-phenyl-2-[(2s,4r)-n,2,4-trimethyl-9-oxodecanamido]propanimidic acid

C40H59N5O7 (721.4414)


   

n-[(3r,6r)-6-[(1r,2r,3as,3bs,9br,11ar)-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-2-methyl-5-oxoheptan-3-yl]ethanimidic acid

n-[(3r,6r)-6-[(1r,2r,3as,3bs,9br,11ar)-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-2-methyl-5-oxoheptan-3-yl]ethanimidic acid

C37H55NO13 (721.3673)


   

(2r)-2-(2-{[(5s,6s,7s,9r,11r,16s,18s,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

(2r)-2-(2-{[(5s,6s,7s,9r,11r,16s,18s,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

C34H59NO15 (721.3885)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(4r,6r,7s)-9-{[(10e,18e)-9,17-dihydroxytetracosa-10,18-dienoyl]oxy}-4,6,7-trihydroxy-n-(2-sulfoethyl)decanimidic acid

(4r,6r,7s)-9-{[(10e,18e)-9,17-dihydroxytetracosa-10,18-dienoyl]oxy}-4,6,7-trihydroxy-n-(2-sulfoethyl)decanimidic acid

C36H67NO11S (721.4435)


   

β1-solasonine

NA

C39H63NO11 (721.4401)


{"Ingredient_id": "HBIN017941","Ingredient_name": "\u03b21-solasonine","Alias": "NA","Ingredient_formula": "C39H63NO11","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37262","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

beta-solamargine

β-solamargine

C39H63NO11 (721.4401)


{"Ingredient_id": "HBIN018328","Ingredient_name": "beta-solamargine","Alias": "\u03b2-solamargine","Ingredient_formula": "C39H63NO11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25274;20029","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-(2-{[(5r,6r,7s,9s,11r,17r,18r,19s)-19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

2-(2-{[(5r,6r,7s,9s,11r,17r,18r,19s)-19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

C34H59NO15 (721.3885)


   

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

2-[(3,4-dihydroxy-6-methyl-5-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(3,4-dihydroxy-6-methyl-5-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(4s,10r,11r,15r,18s,20r)-10-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.0²,²².0⁴,²⁰.0⁶,¹⁴.0⁷,¹¹.0¹⁵,²⁰.0²⁶,³⁰.0³¹,³⁵]pentatriaconta-1(35),2(22),5,24,26(30),31,33-heptaen-23-one

(4s,10r,11r,15r,18s,20r)-10-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.0²,²².0⁴,²⁰.0⁶,¹⁴.0⁷,¹¹.0¹⁵,²⁰.0²⁶,³⁰.0³¹,³⁵]pentatriaconta-1(35),2(22),5,24,26(30),31,33-heptaen-23-one

C46H59NO6 (721.4342)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

C34H59NO15 (721.3885)


   

(2s,5s,11s,14s,20s,23s)-20-benzyl-2-[(2r)-butan-2-yl]-11-[(2s)-butan-2-yl]-4,13,22,25-tetrahydroxy-23-methyl-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

(2s,5s,11s,14s,20s,23s)-20-benzyl-2-[(2r)-butan-2-yl]-11-[(2s)-butan-2-yl]-4,13,22,25-tetrahydroxy-23-methyl-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

C37H51N7O6S (721.3621)


   

2-{2-[2-(3-methoxy-n-methylbut-2-enamido)-3-(4-methoxyphenyl)-n-methylpropanamido]-n,3-dimethylbutanamido}-3-(4-methoxyphenyl)-n-[1-(1,3-thiazol-2-yl)ethyl]propanimidic acid

2-{2-[2-(3-methoxy-n-methylbut-2-enamido)-3-(4-methoxyphenyl)-n-methylpropanamido]-n,3-dimethylbutanamido}-3-(4-methoxyphenyl)-n-[1-(1,3-thiazol-2-yl)ethyl]propanimidic acid

C38H51N5O7S (721.3509)


   

n-[6-(2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl)-2,6-dihydroxy-2-methyl-5-oxoheptan-3-yl]ethanimidic acid

n-[6-(2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl)-2,6-dihydroxy-2-methyl-5-oxoheptan-3-yl]ethanimidic acid

C37H55NO13 (721.3673)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(9s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(9s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,6r,8s,9s,12r,13r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,6r,8s,9s,12r,13r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s)-2-[(2s)-2-[(2s)-2-[(2e)-3-methoxy-n-methylbut-2-enamido]-3-(4-methoxyphenyl)-n-methylpropanamido]-n,3-dimethylbutanamido]-3-(4-methoxyphenyl)-n-[(1s)-1-(1,3-thiazol-2-yl)ethyl]propanimidic acid

(2s)-2-[(2s)-2-[(2s)-2-[(2e)-3-methoxy-n-methylbut-2-enamido]-3-(4-methoxyphenyl)-n-methylpropanamido]-n,3-dimethylbutanamido]-3-(4-methoxyphenyl)-n-[(1s)-1-(1,3-thiazol-2-yl)ethyl]propanimidic acid

C38H51N5O7S (721.3509)


   

(2s)-2-(2-{[(5r,6r,7s,9s,11r,16r,18s,19s)-19-amino-6-{[(3s)-3,4-dicarboxybutanoyl]oxy}-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

(2s)-2-(2-{[(5r,6r,7s,9s,11r,16r,18s,19s)-19-amino-6-{[(3s)-3,4-dicarboxybutanoyl]oxy}-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

C34H59NO15 (721.3885)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,5s,11s,14s,20s,23s)-20-benzyl-4,13,22,25-tetrahydroxy-23-methyl-2,11-bis(sec-butyl)-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

(2s,5s,11s,14s,20s,23s)-20-benzyl-4,13,22,25-tetrahydroxy-23-methyl-2,11-bis(sec-butyl)-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

C37H51N7O6S (721.3621)


   

(2r)-2-(2-{[(5s,6s,7s,9r,16s,17s,18r,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

(2r)-2-(2-{[(5s,6s,7s,9r,16s,17s,18r,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

C34H59NO15 (721.3885)


   

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2r,4s,5'r,6r,7s,8s,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2r,4s,5'r,6r,7s,8s,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2r)-2-(2-{[(5r,6r,7s,9s,11r,17r,18r,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

(2r)-2-(2-{[(5r,6r,7s,9s,11r,17r,18r,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid

C34H59NO15 (721.3885)


   

n-{1-[(1-{[1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl)(methyl)carbamoyl]ethyl}-3-phenyl-2-(n,2,4-trimethyl-9-oxodecanamido)propanimidic acid

n-{1-[(1-{[1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl)(methyl)carbamoyl]ethyl}-3-phenyl-2-(n,2,4-trimethyl-9-oxodecanamido)propanimidic acid

C40H59N5O7 (721.4414)


   

10-(5,6-dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.0²,²².0⁴,²⁰.0⁶,¹⁴.0⁷,¹¹.0¹⁵,²⁰.0²⁶,³⁰.0³¹,³⁵]pentatriaconta-1(35),2(22),5,24,26(30),31,33-heptaen-23-one

10-(5,6-dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.0²,²².0⁴,²⁰.0⁶,¹⁴.0⁷,¹¹.0¹⁵,²⁰.0²⁶,³⁰.0³¹,³⁵]pentatriaconta-1(35),2(22),5,24,26(30),31,33-heptaen-23-one

C46H59NO6 (721.4342)


   

20-benzyl-4,13,22,25-tetrahydroxy-23-methyl-2,11-bis(sec-butyl)-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

20-benzyl-4,13,22,25-tetrahydroxy-23-methyl-2,11-bis(sec-butyl)-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.0⁵,⁹.0¹⁴,¹⁸]nonacosa-1(29),3,12,21,24,26-hexaene-10,19-dione

C37H51N7O6S (721.3621)


   

(2s,3s,4r,5r,6s)-6-({[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methyl-6-[(1r,2s,4r,5's,6r,7r,8r,9s,12s,13r,16r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-4-yl]oxy}methyl)oxane-2,3,4,5-tetrol

(2s,3s,4r,5r,6s)-6-({[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methyl-6-[(1r,2s,4r,5's,6r,7r,8r,9s,12s,13r,16r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-4-yl]oxy}methyl)oxane-2,3,4,5-tetrol

C39H63NO11 (721.4401)