Exact Mass: 644.1258

Exact Mass Matches: 644.1258

Found 40 metabolites which its exact mass value is equals to given mass value 644.1258, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Procumbenoside A

Procumbenoside A

C31H32O15 (644.1741)


   

1-O-(E)-Caffeoyl-4,6-(S)-HHDP-beta-D-glucopyranose

1-O-(E)-Caffeoyl-4,6-(S)-HHDP-beta-D-glucopyranose

C29H24O17 (644.1013)


   

1-O-(E)-caffeoyl-4,6-(S)-hexahydroxydiphenyl-beta-D-glucopyranose

1-O-(E)-caffeoyl-4,6-(S)-hexahydroxydiphenyl-beta-D-glucopyranose

C29H24O17 (644.1013)


   
   
   

Luteolinidin-5-(2-O-alpha-D-glucopyranosyl-2-glucose)|Luteolinidin-5-<2-O-alpha-D-glucopyranosyl-2-glucose>

Luteolinidin-5-(2-O-alpha-D-glucopyranosyl-2-glucose)|Luteolinidin-5-<2-O-alpha-D-glucopyranosyl-2-glucose>

C27H32O18 (644.1589)


   

3-C-[4-O-(5-hydroxyferuloyl)-beta-D-glucopyranosyl]-2,4,6-trihydroxy-3,4-dimethoxy-benzophenone|telephenone D

3-C-[4-O-(5-hydroxyferuloyl)-beta-D-glucopyranosyl]-2,4,6-trihydroxy-3,4-dimethoxy-benzophenone|telephenone D

C31H32O15 (644.1741)


   

quercetin 3-O-(2-O-galloyl-beta-D-glucuronide 6-methyl ester)

quercetin 3-O-(2-O-galloyl-beta-D-glucuronide 6-methyl ester)

C29H24O17 (644.1013)


   

[8,8-bi-2H-1-benzopyran]-2,2-dione,7-(alpha-D-glucopyranosyloxy)-7-hydroxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]

[8,8-bi-2H-1-benzopyran]-2,2-dione,7-(alpha-D-glucopyranosyloxy)-7-hydroxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]

C33H24O14 (644.1166)


   

7-hydroxylodesmethoxyrutarensin

7-hydroxylodesmethoxyrutarensin

C30H28O16 (644.1377)


   

5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

C31H32O15 (644.1741)


   

5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000847717]

NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000847717]

C31H32O15 (644.1741)


   

5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based: Match]

NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based: Match]

C31H32O15 (644.1741)


   
   

N-acetyl-8-O-(N-acetyl-a-neuraminyl)-neuraminic acid disodium salt

N-acetyl-8-O-(N-acetyl-a-neuraminyl)-neuraminic acid disodium salt

C22H34N2Na2O17 (644.1653)


   
   

[(6R)-9-[(2R,3R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxymethyl]-3-phosphonooxyoxolan-2-yl]-1,2,3,6-tetrahydropurin-6-yl]azanium

[(6R)-9-[(2R,3R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxymethyl]-3-phosphonooxyoxolan-2-yl]-1,2,3,6-tetrahydropurin-6-yl]azanium

C15H29N5O17P3+ (644.0771)


   

2-Azaniumyl-5-[[3-[[2-[(4-azaniumyl-4-carboxylatobutanoyl)amino]-3-(carboxylatomethylamino)-3-oxopropyl]trisulfanyl]-1-(carboxylatomethylamino)-1-hydroxypropan-2-yl]amino]-5-oxopentanoate

2-Azaniumyl-5-[[3-[[2-[(4-azaniumyl-4-carboxylatobutanoyl)amino]-3-(carboxylatomethylamino)-3-oxopropyl]trisulfanyl]-1-(carboxylatomethylamino)-1-hydroxypropan-2-yl]amino]-5-oxopentanoate

C20H32N6O12S3-2 (644.124)


   

GDP-N-acetyl-D-glucosamine

GDP-N-acetyl-D-glucosamine

C18H26N6O16P2-2 (644.088)


   
   

dAp-dAp

dAp-dAp

C20H26N10O11P2 (644.1258)


A 5-phospho-(3->5)-dinucleotide composed from two dAMP residues.

   

Thymidine 5-monophosphate dimer

Thymidine 5-monophosphate dimer

C20H30N4O16P2 (644.1132)


A cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of thymidine 5-monophosphate.

   

alpha-D-Glcp-(1->3)-[L-alpha-D-Hepp-(1->7)]-L-alpha-D-Hepp-4P

alpha-D-Glcp-(1->3)-[L-alpha-D-Hepp-(1->7)]-L-alpha-D-Hepp-4P

C20H37O21P (644.1565)


   

6-(4,5-dihydroxy-2-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(4,5-dihydroxy-2-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H32O18 (644.1589)


   

5,6-Dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

5,6-Dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

C31H32O15 (644.1741)


   

[(10r,11s,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(10r,11s,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C29H24O17 (644.1013)


   

(2r,3r)-3-[(10s,11r)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaen-10-yl]-2,3-dihydroxypropyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3r)-3-[(10s,11r)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaen-10-yl]-2,3-dihydroxypropyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C29H24O17 (644.1013)


   

(2r,3s,4r,5r,6s)-6-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate

(2r,3s,4r,5r,6s)-6-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate

C31H32O15 (644.1741)


   

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

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

C29H24O17 (644.1013)


   

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

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

C29H24O17 (644.1013)


   

1-o-(e)-caffeoyl-4,6-(s)-hhdp-β-d-glucopy-ranose

NA

C29H24O17 (644.1013)


{"Ingredient_id": "HBIN002900","Ingredient_name": "1-o-(e)-caffeoyl-4,6-(s)-hhdp-\u03b2-d-glucopy-ranose","Alias": "NA","Ingredient_formula": "C29H24O17","Ingredient_Smile": "C1C2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2908","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

{3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

{3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C29H24O17 (644.1013)


   

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

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

C29H24O17 (644.1013)


   

6-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate

6-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate

C31H32O15 (644.1741)


   

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

C31H32O15 (644.1741)


   

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

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

C29H24O17 (644.1013)


   

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

C31H32O15 (644.1741)


   

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-4-hydroxy-4-(hydroxymethyl)-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

C31H32O15 (644.1741)


   

9-(2h-1,3-benzodioxol-5-yl)-4-{[4-hydroxy-4-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

9-(2h-1,3-benzodioxol-5-yl)-4-{[4-hydroxy-4-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

C31H32O15 (644.1741)