Exact Mass: 688.2308356

Exact Mass Matches: 688.2308356

Found 29 metabolites which its exact mass value is equals to given mass value 688.2308356, 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

C31H35F6N4O5P (688.2249142)

C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent

CE 33D

C41H36O10 (688.2308356)

4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)columbin|palmatoside C tetraacetate

C34H40O15 (688.236709)

7-O-(4-??-D-Glucopyranosyloxy-3-methoxybenzoyl) secologanolic acid

C30H40O18 (688.221454)

cryptophycin-31

C35H42Cl2N2O8 (688.2318072000002)

(7R,8S)-4,3,9-trihydroxyl-3-methoxyl-7,8-dihydrobenzofuran-1-propylneolignan-9-O-(6-O-syringoyl)-beta-D-glucopyranoside|lophantoside B

C34H40O15 (688.236709)

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

C30H40O18 (688.221454)

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

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

C34H40O15 (688.236709)

Fosnetupitant

C31H35F6N4O5P (688.2249142)

C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent

PIP(18:3)

PIP(6:0_12:3)

C27H46O16P2 (688.2260976)

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

C30H40O18 (688.221454)

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

C30H40O18 (688.221454)

(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

C35H42Cl2N2O8 (688.2318072000002)

7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl) secologanolicacid

7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl)secologanolicacid

C30H40O18 (688.221454)

{"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

C34H40O15 (688.236709)

[(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

C34H40O15 (688.236709)

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

C34H40O15 (688.236709)

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

C30H40O18 (688.221454)

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

C34H40O15 (688.236709)

(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

C34H40O15 (688.236709)

(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

C30H40O18 (688.221454)

(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

C41H36O10 (688.2308356)

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

C34H40O15 (688.236709)

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)