Exact Mass: 862.2531466

Exact Mass Matches: 862.2531466

Found 18 metabolites which its exact mass value is equals to given mass value 862.2531466, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Smiglaside C (Not validated) + 1Acetyl

Smiglaside C (Not validated) + 1Acetyl

C40H46O21 (862.2531466)


Annotation level-3

   
   

6-O-alpha-L-(2-O-,3-O-dibenzoyl,4-O-cis-p-coumaroyl)rhamnopyranosylcatalpol

6-O-alpha-L-(2-O-,3-O-dibenzoyl,4-O-cis-p-coumaroyl)rhamnopyranosylcatalpol

C44H46O18 (862.2684016000001)


   

epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->8)

epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->8)

C47H42O16 (862.2472732)


   

Cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside]

Cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside]

C39H42O22 (862.2167632000001)


   
   

(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 (862.28953)


   

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

NA

C44H46O18 (862.2684016000001)


{"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

NA

C44H46O18 (862.2684016000001)


{"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

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 (862.2472732)


   

{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 (862.2531466)


   

[(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 (862.2531466)


   

(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 (862.2472732)


   

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 (862.2908676)


   

(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

(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 (862.28953)