Exact Mass: 916.1629

Exact Mass Matches: 916.1629

Found 29 metabolites which its exact mass value is equals to given mass value 916.1629, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CID 439303

C42H44FeN4O16 (916.2102)

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-nitrobenzenecarbothioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-nitrobenzenecarbothioate

C28H39N8O19P3S (916.1265)

Assamicain C

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)-2-[(3,4,5-trihydroxyphenyl)carbonyloxy]propyl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

Derived from the leaves of Camellia sinensis variety assamica (Assam tea). Assamicain C is found in tea. Assamicain C is found in tea. Derived from the leaves of Camellia sinensis var. assamica (Assam tea).

Assamicain A

1-[5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoic acid

C44H36O22 (916.1698)

Assamicain B is found in tea. Assamicain B is isolated from leaves of Camellia sinensis var. assamica (Assam tea). Isolated from the leaves of Camellia sinensis variety assamica (Assam tea). Assamicain A is found in tea.

Assamicain A

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-8-[3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)-2-[(3,4,5-trihydroxyphenyl)carbonyloxy]propyl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

carbon monoxide; ruthenium; triphenylphosphane

C55H45OP3Ru (916.1727)

Cy5.5

C41H44N2O14S4 (916.1675)

4-carboxycyclohexanoyl-CoA

C29H41N7O19P3S-5 (916.1391)

Sirohaem

C42H44FeN4O16-2 (916.2102)

trans-2-octenedioyl-CoA(5-)

C29H41N7O19P3S-5 (916.1391)

Dipicolinic Acid-CoA; (Acyl-CoA); [M+H]+

C28H39N8O19P3S (916.1265)

Quinolinic Acid-CoA; (Acyl-CoA); [M+H]+

C28H39N8O19P3S (916.1265)

4-Hydroxyphenylglycine-CoA; (Acyl-CoA); [M+H]+

C29H43N8O18P3S (916.1629)

1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

Siroheme

C42H44FeN4O16 (916.2102)

trans-2-octenedioyl-CoA(5-)

C29H41N7O19P3S (916.1391)

An acyl-CoA oxoanion that is the pentaanion of trans-2-octenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.

(1r,2r)-1-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-6-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate

(1r,2r)-1-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-6-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

assamicain a; 1'-epimer

C44H36O22 (916.1698)

{"Ingredient_id": "HBIN017166","Ingredient_name": "assamicain a; 1'-epimer","Alias": "NA","Ingredient_formula": "C44H36O22","Ingredient_Smile": "NA","Ingredient_weight": "916.74","OB_score": "NA","CAS_id": "121844-27-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6558","PubChem_id": "NA","DrugBank_id": "NA"}

(14r,15r,19r)-14-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-19-[(2s,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

(14r,15r,19r)-14-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-19-[(2s,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

C39H32O26 (916.1182)

13-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy}-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

13-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy}-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C44H36O22 (916.1698)

14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-19-(2,3,4,5-tetrahydroxyoxan-2-yl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-19-(2,3,4,5-tetrahydroxyoxan-2-yl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

C39H32O26 (916.1182)

14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-19-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-19-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

C39H32O26 (916.1182)

(1r,2r)-1-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate

(1r,2r)-1-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

(2r,3r)-5,7-dihydroxy-8-[(1s,2r)-2-(3,4,5-trihydroxybenzoyloxy)-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2r,3r)-5,7-dihydroxy-8-[(1s,2r)-2-(3,4,5-trihydroxybenzoyloxy)-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H36O22 (916.1698)

(10r,11r,12r,13s,15r)-13-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy}-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(10r,11r,12r,13s,15r)-13-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy}-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C44H36O22 (916.1698)