Exact Mass: 688.2158913999999
Exact Mass Matches: 688.2158913999999
Found 80 metabolites which its exact mass value is equals to given mass value 688.2158913999999
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Halistanol sulfate
C29H52O12S3 (688.2620751999999)
Encequidar
C38H36N6O7 (688.2645345999999)
Fosnetupitant
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
6-Hydroxylophirone B 4-O-glucoside
Tricin 4 -O- (threo-beta-guaiacylglyceryl) ether 7-O-glucopyranoside
Flavone base + 3O, 2MeO, O-guaiacylglycerol-Hex
Annotation level-3
4-O-(6-deoxy-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)diphyllin|9-(1,3-benzodioxol-5-yl)-4-[(6-deoxy-4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-6,7-dimethoxynaphtho[2.3-c]furan-1(3H)-one|mananthoside C
3-Hydroxy-4,5,7-trimethoxyflavone-(6->8)-3-hydroxy-3,4,5,7-tetramethoxyflavone
4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)columbin|palmatoside C tetraacetate
7-O-(4-??-D-Glucopyranosyloxy-3-methoxybenzoyl) secologanolic acid
(7R,8S)-4,3,9-trihydroxyl-3-methoxyl-7,8-dihydrobenzofuran-1-propylneolignan-9-O-(6-O-syringoyl)-beta-D-glucopyranoside|lophantoside B
Tricin 4-O-(threo-β-guaiacylglyceryl) ether O-hexoside
aeruginosin DA642B|D-o-Cl-Hpla-D-Leu-L-Choi-6-sulfate-agmatine
C29H45ClN6O9S (688.2657110000001)
30,30,34,34-tetrachlorocylindrocyclophane F|cylindrocyclophane F4
Depressine
Depressine is a natural product found in Gentiana depressa with data available. Depressine is a natural product found in Gentiana depressa[1].
Flavone base + 3O, 2MeO, O-guaiacylglyceryl-Hex
Annotation level-3
N-Succinimidyl [tris(2,4,6-trimethoxyphenyl)phosphonio]acetate
C33H39NO13P (688.2158913999999)
Salivaricin A
C28H48O12Si4 (688.2222727999999)
5-Hydroxy-2-(4-methoxyphenyl)-8-(2-methoxy-2-propanyl)-4-oxo-4H-furo[2,3-h]chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranoside
Alimemazine hemitartrate
C18H22N2S.1/2C4H6O6 (688.1667988000002)
Alimemazine hemitartrate is a phenothiazine derivative that is generally used as an antipruritic agent and also a hemagglutinin (HA)-receptor antagonist.
N,N-[2,5-O-DI-2-Fluoro-benzyl-glucaryl]-DI-[1-amino-indan-2-OL]
C38H38F2N2O8 (688.2596092000001)
2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
Tricin 4-O-(erythro-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside
A dihydroxyflavone that is tricin 4-O-(erythro-beta-guaiacylglyceryl) ether in which the hydroxy hydrogen at position 7 has been replaced by a beta-D-glucopyranosyl group.
(1R,2S)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
(2S,3R)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
tricin 4-O-(threo-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside
A dihydroxyflavone that is tricin 4-O-(threo-beta-guaiacylglyceryl) ether in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucopyranosyl group.
tricin 4-O-(erythro-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside
A dihydroxyflavone that is tricin 4-O-(erythro-beta-guaiacylglyceryl) ether in which the hydroxy hydrogen at position 7 has been replaced by a beta-D-glucopyranosyl group.
tricin 4-O-(erythro-beta-guaiacylglyceryl) ether 9-O-beta-D-glucopyranoside
A dihydroxyflavone that is tricin 4-O-(erythro-beta-guaiacylglyceryl) ether in which the hydroxy hydrogen at position 9 has been replaced by a beta-D-glucopyranosyl group.
PIP(18:3)
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[3,4,5-tris(acetyloxy)-6-{[7,10-bis(acetyloxy)-1,3-dimethyl-4-oxo-1h,3h-naphtho[2,3-c]pyran-9-yl]oxy}oxan-2-yl]methyl acetate
(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
[9a,11a-dimethyl-7,8-bis(sulfooxy)-1-(5,6,6-trimethylheptan-2-yl)-tetradecahydro-1h-cyclopenta[a]phenanthren-5-yl]oxidanesulfonic acid
C29H52O12S3 (688.2620751999999)
methyl (4s,5r,6s)-5-ethenyl-4-[2-(2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
5-ethenyl-4-[2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
(3s,6r,10r,13e,16s)-10-[(3,5-dichloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione
C35H42Cl2N2O8 (688.2318072000002)
7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl) secologanolicacid
{"Ingredient_id": "HBIN013372","Ingredient_name": "7-o-(4-\u03b2-d-glucopyranosyloxy-3-methoxy-benzoyl) secologanolicacid","Alias": "7-o-(4-\u03b2-d-glucopyranosyloxy-3-methoxy-benzoyl)secologanolicacid","Ingredient_formula": "C30H40O18","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OCCC2C(C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15630","TCMID_id": "8700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl (2e)-3-[(2r,3s)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
(2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxybenzoate
9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-{[(2r,3s)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
n-(4-carbamimidamidobutyl)-1-(2-{[3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl)-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
[(1r,5s,7s,8s,9ar,11ar)-9a,11a-dimethyl-7,8-bis(sulfooxy)-1-[(2r)-5,6,6-trimethylheptan-2-yl]-tetradecahydro-1h-cyclopenta[a]phenanthren-5-yl]oxidanesulfonic acid
C29H52O12S3 (688.2620751999999)
n-(4-carbamimidamidobutyl)-1-[(2r,3r)-2-{[3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
2-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
9-(2h-1,3-benzodioxol-5-yl)-4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
8,19-bis(4,4-dichlorobutyl)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
methyl (1s,6r,7s,8s,9r,12s,13r,15s,16s)-13-(acetyloxy)-8-hydroxy-7-[(1s,2s,6r,8s,9r,11s)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl]-7-methyl-15-{[(2e)-2-methylbut-2-enoyl]oxy}-4,5-dioxo-3,10-dioxatetracyclo[7.6.1.0¹,⁶.0¹²,¹⁶]hexadecane-12-carboxylate
n-(4-carbamimidamidobutyl)-1-(2-{[3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl)-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-hydroxybenzoate
(2s,3ar,6r,7ar)-n-(4-carbamimidamidobutyl)-1-[(2r,3r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
methyl 5-ethenyl-4-[2-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
2-acetyl-12a-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-3,8,10,11-tetrahydroxy-4-methoxy-9-methyl-4a,5-dihydro-4h-tetracene-1,12-dione
(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r,3r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)
(3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}oxan-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoate
(4s,5r,6s)-5-ethenyl-4-[2-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
(3s,8r,14s,19r)-8,19-bis(4,4-dichlorobutyl)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
2-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1s,3s)-10-{[(1s,3s)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrotetraphen-10-yl]methyl}-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione
methyl 13-(acetyloxy)-8-hydroxy-7-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-7-methyl-15-[(2-methylbut-2-enoyl)oxy]-4,5-dioxo-3,10-dioxatetracyclo[7.6.1.0¹,⁶.0¹²,¹⁶]hexadecane-12-carboxylate
(2s,3r)-6-[(2s,3r)-2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4-oxo-2,3-dihydro-1-benzopyran-8-yl]-3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
[(1r,3as,3bs,5s,5as,7s,8s,9ar,9bs,11ar)-9a,11a-dimethyl-7,8-bis(sulfooxy)-1-[(2r)-5,6,6-trimethylheptan-2-yl]-tetradecahydro-1h-cyclopenta[a]phenanthren-5-yl]oxidanesulfonic acid
C29H52O12S3 (688.2620751999999)
10-[(3,5-dichloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione
C35H42Cl2N2O8 (688.2318072000002)
(2r,3s)-3-{5-[(1e)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-hydroxyphenyl}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r,3s)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid
C29H45ClN6O9S (688.2657110000001)