Exact Mass: 688.2308
Exact Mass Matches: 688.2308
Found 29 metabolites which its exact mass value is equals to given mass value 688.2308,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Fosnetupitant
4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-[(hydrogen phosphonooxy)methyl]-1-methylpiperazin-1-ium
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)columbin|palmatoside C tetraacetate
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
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
(7R,8S)-4,3,9-trihydroxyl-3-methoxyl-7,8-dihydrobenzofuran-1-propylneolignan-9-O-(6-O-syringoyl)-beta-D-glucopyranoside|lophantoside B
Depressine
(2S,3R,4S)-Methyl 4-(2-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
Depressine is a natural product found in Gentiana depressa with data available. Depressine is a natural product found in Gentiana depressa[1].
Salivaricin A
3-{2,4,6,8-tetramethyl-4,6,8-tris[3-(prop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl}propyl prop-2-enoate
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
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
PIP(18:3)
PIP(6:0_12:3)
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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
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
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
(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
7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl) secologanolicacid
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
(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,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
[(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
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
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
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
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
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
(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
(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
(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
(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
(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
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
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
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
