Exact Mass: 862.2531

Exact Mass Matches: 862.2531

Found 18 metabolites which its exact mass value is equals to given mass value 862.2531, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sirohydrochlorin

C42H46N4O16 (862.2909)

Smiglaside C (Not validated) + 1Acetyl

C40H46O21 (862.2531)

Annotation level-3

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C41H50O20 (862.2895)

6-o-α-l-(2''-o-,3''-o-dibenzoyl,4''-o-cis-p-coumaroyl)rhamnopyranosylcatalpol

C44H46O18 (862.2684)

{"Ingredient_id": "HBIN012622","Ingredient_name": "6-o-\u03b1-l-(2''-o-,3''-o-dibenzoyl,4''-o-cis-p-coumaroyl)rhamnopyranosylcatalpol","Alias": "NA","Ingredient_formula": "C44H46O18","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C=CC8=CC=C(C=C8)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-α-l-(2''-o-,3''-o-dibenzoyl,4''-o-trans-p-coumaroyl)rhamnopyranosylcatalpol

C44H46O18 (862.2684)

{"Ingredient_id": "HBIN012623","Ingredient_name": "6-o-\u03b1-l-(2''-o-,3''-o-dibenzoyl,4''-o-trans-p-coumaroyl)rhamnopyranosylcatalpol","Alias": "NA","Ingredient_formula": "C44H46O18","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C=CC8=CC=C(C=C8)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5381","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

3',7-bis(3,4-dihydroxyphenyl)-5'-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-1',2',3',4',5,6,7,8-octahydro-[1,1'-binaphthalene]-2,2',4,6,6',8'-hexol

C47H42O16 (862.2473)

{5-[(acetyloxy)methyl]-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

{5-[(acetyloxy)methyl]-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C40H46O21 (862.2531)

[(2r,3r,4s,5s)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5s,6r)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

[(2r,3r,4s,5s)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5s,6r)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C40H46O21 (862.2531)

(1's,2's,3'r,6r,7r)-3',7-bis(3,4-dihydroxyphenyl)-5'-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-1',2',3',4',5,6,7,8-octahydro-[1,1'-binaphthalene]-2,2',4,6,6',8'-hexol

(1's,2's,3'r,6r,7r)-3',7-bis(3,4-dihydroxyphenyl)-5'-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-1',2',3',4',5,6,7,8-octahydro-[1,1'-binaphthalene]-2,2',4,6,6',8'-hexol

C47H42O16 (862.2473)

3-[(4s,5s,19s,20s)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,14,16(22),17-nonaen-4-yl]propanoic acid

3-[(4s,5s,19s,20s)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,14,16(22),17-nonaen-4-yl]propanoic acid

C42H46N4O16 (862.2909)

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C41H50O20 (862.2895)