Exact Mass: 702.3397284
Exact Mass Matches: 702.3397284
Found 117 metabolites which its exact mass value is equals to given mass value 702.3397284
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulbutiamine
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
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
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
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
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
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
Arg Arg Trp Trp
C34H46N12O5 (702.3713945999999)
Arg Trp Arg Trp
C34H46N12O5 (702.3713945999999)
Arg Trp Trp Arg
C34H46N12O5 (702.3713945999999)
Trp Arg Arg Trp
C34H46N12O5 (702.3713945999999)
Trp Arg Trp Arg
C34H46N12O5 (702.3713945999999)
Trp Trp Arg Arg
C34H46N12O5 (702.3713945999999)
BA-delta5-3beta,7beta-diol,7betaGlcNAc,24T
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
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
[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
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
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
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
[(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-[(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
(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)
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
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
(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-(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
5alpha-o-(3'-amino-3'-phenylpropionyl)nicotaxine
C39H46N2O10 (702.3152296000001)
{"Ingredient_id": "HBIN011427","Ingredient_name": "5alpha-o-(3'-amino-3'-phenylpropionyl)nicotaxine","Alias": "5\u03b1-o-(3'-amino-3'-phenylpropionyl)nicotaxine","Ingredient_formula": "C39H46N2O10","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1=O)OC(=O)C)CO4)OC(=O)CC(C5=CC=CC=C5)N)C)OC(=O)C6=CN=CC=C6)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25584;1062","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(1r,2r)-2-{4-[(2s,3s,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-hydroxypropyl]-2-methoxyphenol
n-{2-[hydroxy({[1-(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
2-amino-3-({2-[(14e)-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
methyl 8,14,18-tris(acetyloxy)-6-(furan-3-yl)-12-hydroxy-1,7,11,15-tetramethyl-9-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
(1r,3br,4r,5as,7r,9s,9as,9br,11as)-4,9-bis(acetyloxy)-1-(7,7-dimethyl-5,6-dioxooxepan-3-yl)-3b,6,6,9a,11a-pentamethyl-2-methylidene-1h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl benzoate
(2s,3s,4s,5r,6r)-6-{[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-[(2s,5r)-2-hydroxy-5,6-dimethyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-5-(sulfooxy)-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C34H54O13S (702.3284954000001)
(2r)-2-amino-3-{[(1r)-2-[(1s,2s,3s,7s,8r,9s,10s,12r,14e,16r)-9-{[(2r,3r,4r,6s)-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
4-(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-hydroxypropyl)-2-methoxyphenol
4-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-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-hydroxypropyl]-2-methoxyphenol
2',10'-bis(acetyloxy)-5'-[(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)
methyl (11r,12'r,15s,24s,25r)-19-methoxy-8,15'-dioxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1¹,⁴.0⁷,¹¹.0¹⁷,²⁴.0¹⁸,²³.0¹¹,²⁵]pentacosane-15,17'-hexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosane]-2',4',6',9',18,20,22-heptaene-10'-carboxylate
C43H50N4O5 (702.3781009999999)
methyl (1'r,11r,12'r,15r,16's,22'r,24s,25r)-19-methoxy-8,15'-dioxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1¹,⁴.0⁷,¹¹.0¹⁷,²⁴.0¹⁸,²³.0¹¹,²⁵]pentacosane-15,17'-hexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosane]-2',4',6',9',18,20,22-heptaene-10'-carboxylate
C43H50N4O5 (702.3781009999999)
5-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-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-hydroxypropyl]-2-methoxyphenol
methyl (1s,2r,4s,6s,7r,8r,9r,10r,11s,12s,14r,15s,16r,18r)-8,14,18-tris(acetyloxy)-6-(furan-3-yl)-12-hydroxy-1,7,11,15-tetramethyl-9-[(2-methylpropanoyl)oxy]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
16-benzyl-14,18,24-trihydroxy-3-(2-hydroxypropan-2-yl)-13-isopropyl-4,20-dimethyl-1,4,10,11,14,17,20,26-octaazatricyclo[20.4.0.0⁶,¹¹]hexacos-17-ene-2,5,12,15,21-pentone
C33H50N8O9 (702.3700570000001)
4-[(1r,2s)-2-{4-[(2s,3s,4s,5s)-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-hydroxypropyl]-2-methoxyphenol
(2s)-2-[(1r,2s,3r,4r)-4-{[(3s,4e)-4-ethylidene-5-oxo-3-(2-oxoethyl)pentanoyl]oxy}-2-({[(3s,4e)-4-ethylidene-5-oxo-3-(2-oxoethyl)pentanoyl]oxy}methyl)-3-methylcyclopentyl]-3-hydroxypropyl (3s,4e)-4-formyl-3-(2-oxoethyl)hex-4-enoate
(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,8s,9ar,9br,11ar)-1-[(2r,4e)-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
(1s,2r,3r,6z,8s,9s,10s,12s,16s)-12-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione
(2s,3s,4s,5r,6r)-6-{[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-[(1r)-1-hydroxy-1-[(2r,3s)-3-[(2r)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-9a,11a-dimethyl-5-(sulfooxy)-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C34H54O13S (702.3284954000001)
(3s,6r,16r,22r,24r)-16-benzyl-14,18,24-trihydroxy-3-(2-hydroxypropan-2-yl)-13-isopropyl-4,20-dimethyl-1,4,10,11,14,17,20,26-octaazatricyclo[20.4.0.0⁶,¹¹]hexacos-17-ene-2,5,12,15,21-pentone
C33H50N8O9 (702.3700570000001)