Exact Mass: 702.336358
Exact Mass Matches: 702.336358
Found 104 metabolites which its exact mass value is equals to given mass value 702.336358,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Taccalonolide
[(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14,25-triacetyloxy-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate
Taccalonolide A is a withanolide. Taccalonolide A is a natural product found in Tacca plantaginea and Tacca chantrieri with data available. Taccalonolide A is a microtubule stabilizer, which is a steroid isolated from Tacca chantrieri, with cytotoxic and antimalarial activities[1][2]. Taccalonolide A causes G2-M accumulation, Bcl-2 phosphorylation and initiation of apoptosis[1]. Taccalonolide A is effective in vitro against cell lines that overexpress P-glycoprotein (Pgp) and multidrug resistance protein 7 (MRP7), with an IC50 of 622 nM for SK-OV-3 cells[3].
Sulbutiamine
Bisibuthiamine
A - Alimentary tract and metabolism > A11 - Vitamins > A11D - Vitamin b1, plain and in combination with vitamin b6 and b12 > A11DA - Vitamin b1, plain Same as: D01319
Hexapeptide analogue
3-({3-carboxy-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)-3-({1-[(1-{2-[(1-carboxy-2-sulphanylethyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propanoic acid
22-methoxy-1beta,2beta,3beta,4beta,5beta,7alpha-hexahydroxy-furost-25(27)-en-6-one-26-yl O-beta-D-glucopyranoside|tupistroside F
22-methoxy-1beta,2beta,3beta,4beta,5beta,7alpha-hexahydroxy-furost-25(27)-en-6-one-26-yl O-beta-D-glucopyranoside|tupistroside F
9-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-(3S,5R,6R,9R,7E)-3,6,9-trihydroxymegastigman-7-ene
9-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-(3S,5R,6R,9R,7E)-3,6,9-trihydroxymegastigman-7-ene
2-deoxy-vobtusine|2-Desoxyvobtusin|Deoxyvobtusin|deoxyvobtusine|dihydroanhydrovobtusine|ent-6beta,21;6beta,21-diepoxy-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
2-deoxy-vobtusine|2-Desoxyvobtusin|Deoxyvobtusin|deoxyvobtusine|dihydroanhydrovobtusine|ent-6beta,21;6beta,21-diepoxy-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
C43H50N4O5 (702.3781009999999)
5??-O-(3-Amino-3-phenylpropionyl)nicotaxine
5??-O-(3-Amino-3-phenylpropionyl)nicotaxine
C39H46N2O10 (702.3152296000001)
9-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-(5R,6S,9R)-6,9-dihydroxymegastigman-3-one|obtusifoside I
9-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-(5R,6S,9R)-6,9-dihydroxymegastigman-3-one|obtusifoside I
29-nor-1,2,3,4,5,10-dehydro-25-O-acetyl-2-O-beta-D-glucopyranosyl-3,16alpha,20(R)-trihydroxy-11,22-dioxocucurbita-6,23-diene
29-nor-1,2,3,4,5,10-dehydro-25-O-acetyl-2-O-beta-D-glucopyranosyl-3,16alpha,20(R)-trihydroxy-11,22-dioxocucurbita-6,23-diene
1alpha,7alpha,11beta-triacetoxy-4alpha-carbomethoxy-12alpha-(2-methylpropanoyloxy)-14beta,15beta-epoxyhavanensin
1alpha,7alpha,11beta-triacetoxy-4alpha-carbomethoxy-12alpha-(2-methylpropanoyloxy)-14beta,15beta-epoxyhavanensin
2-(4-{rel-(3aR,11bR,11cS)-10-[2-(beta-D-glucopyranosyloxy)ethyl]-2,3,3a,4,5,6,11b,11c-octahydro-1H-indolo[3,2,1-ij] [1,7]naphthyridin-1-yl}phenyl)ethyl beta-D-glucopyranoside|incargranine B
2-(4-{rel-(3aR,11bR,11cS)-10-[2-(beta-D-glucopyranosyloxy)ethyl]-2,3,3a,4,5,6,11b,11c-octahydro-1H-indolo[3,2,1-ij] [1,7]naphthyridin-1-yl}phenyl)ethyl beta-D-glucopyranoside|incargranine B
Taccalonolide C
Taccalonolide C
Taccalonolide C is a natural product found in Tacca plantaginea with data available.
Arg Arg Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
C34H46N12O5 (702.3713945999999)
Arg Trp Arg Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid
C34H46N12O5 (702.3713945999999)
Arg Trp Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
C34H46N12O5 (702.3713945999999)
Trp Arg Arg Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid
C34H46N12O5 (702.3713945999999)
Trp Arg Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
C34H46N12O5 (702.3713945999999)
Trp Trp Arg Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
C34H46N12O5 (702.3713945999999)
BA-delta5-3beta,7beta-diol,7betaGlcNAc,24T
3beta-hydroxy-7beta-N-acetylglucosaminylchol-5-en-24-oyltaurine
Ethanesulfonic acid, 2-((4-((2R)-2-(4-(1,1-dimethylethyl)(1,1-biphenyl)-4-yl)-3-oxo-3-((2,4,6-trimethyl(1,1-biphenyl)-4-yl)amino)propyl)benzoyl)amino)-
Ethanesulfonic acid, 2-((4-((2R)-2-(4-(1,1-dimethylethyl)(1,1-biphenyl)-4-yl)-3-oxo-3-((2,4,6-trimethyl(1,1-biphenyl)-4-yl)amino)propyl)benzoyl)amino)-
1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C37H46F4N4O5 (702.3404153999999)
(E)-N-[2-(3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-5-methylhex-2-enamide
(E)-N-[2-(3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-5-methylhex-2-enamide
[1-propanoyloxy-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-propanoyloxy-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-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
C34H55O13P (702.3380109999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
C34H55O13P (702.3380109999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
C34H55O13P (702.3380109999999)
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-decanoyloxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-decanoyloxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
(2s)-n-[(2s,3s)-2-[(s)-hydroxy({[(1s)-1-[(3s)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-3-methylbutyl]-c-hydroxycarbonimidoyl})methyl]-5-oxooxolan-3-yl]-2-[(1-hydroxy-10-methylundecylidene)amino]butanediimidic acid
(2s)-n-[(2s,3s)-2-[(s)-hydroxy({[(1s)-1-[(3s)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-3-methylbutyl]-c-hydroxycarbonimidoyl})methyl]-5-oxooxolan-3-yl]-2-[(1-hydroxy-10-methylundecylidene)amino]butanediimidic acid
(1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
(1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
C39H46N2O10 (702.3152296000001)
4,19,21-tris(acetyloxy)-6-(furan-3-yl)-12,20-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-methylpropanoate
4,19,21-tris(acetyloxy)-6-(furan-3-yl)-12,20-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-methylpropanoate
2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate
2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate
methyl (1s,2s,4r,6s,7r,8r,9r,10r,11s,12s,14r,15s,16r,18r)-9,12,18-tris(acetyloxy)-6-(furan-3-yl)-14-hydroxy-1,7,11,15-tetramethyl-8-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
methyl (1s,2s,4r,6s,7r,8r,9r,10r,11s,12s,14r,15s,16r,18r)-9,12,18-tris(acetyloxy)-6-(furan-3-yl)-14-hydroxy-1,7,11,15-tetramethyl-8-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
4-[(1r,2s)-2-{4-[(2s,3r,4r,5s)-5-(4-{[(1r,2s)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol
4-[(1r,2s)-2-{4-[(2s,3r,4r,5s)-5-(4-{[(1r,2s)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol
methyl 9,12,18-tris(acetyloxy)-6-(furan-3-yl)-14-hydroxy-1,7,11,15-tetramethyl-8-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
methyl 9,12,18-tris(acetyloxy)-6-(furan-3-yl)-14-hydroxy-1,7,11,15-tetramethyl-8-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
4,14,15-tris(acetyloxy)-22-hydroxy-12,16,18,21,22-pentamethyl-5,20,23-trioxo-9,24-dioxaheptacyclo[15.7.1.0²,¹⁶.0³,¹³.0⁶,¹².0⁸,¹⁰.0²¹,²⁵]pentacosan-11-yl acetate
4,14,15-tris(acetyloxy)-22-hydroxy-12,16,18,21,22-pentamethyl-5,20,23-trioxo-9,24-dioxaheptacyclo[15.7.1.0²,¹⁶.0³,¹³.0⁶,¹².0⁸,¹⁰.0²¹,²⁵]pentacosan-11-yl acetate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(2-{4-[(5s,9s,16s)-12-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-10,12,14-trien-8-yl]phenyl}ethoxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(2-{4-[(5s,9s,16s)-12-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-10,12,14-trien-8-yl]phenyl}ethoxy)oxane-3,4,5-triol
2-amino-3-{[2-(9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)-1-hydroxyethyl]sulfanyl}propanoic acid
2-amino-3-{[2-(9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)-1-hydroxyethyl]sulfanyl}propanoic acid
2-(hydroxymethyl)-6-(2-{4-[12-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-10,12,14-trien-8-yl]phenyl}ethoxy)oxane-3,4,5-triol
2-(hydroxymethyl)-6-(2-{4-[12-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-10,12,14-trien-8-yl]phenyl}ethoxy)oxane-3,4,5-triol