Exact Mass: 785.3553322

Exact Mass Matches: 785.3553322

Found 34 metabolites which its exact mass value is equals to given mass value 785.3553322, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Rifaximin

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,23,36-pentahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6-oxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1^{4,7}.0^{5,35}.0^{26,34}.0^{27,32}]heptatriaconta-1(35),2,4,9,19,21,23,25(36),26(34),28,30,32-dodecaen-13-yl acetate

C43H51N3O11 (785.3523416)


Rifaximin is only found in individuals that have used or taken this drug. It is a semisynthetic, rifamycin-based non-systemic antibiotic, meaning that the drug will not pass the gastrointestinal wall into the circulation as is common for other types of orally administered antibiotics. It is used to treat diarrhea caused by E. coli.Rifaximin acts by inhibiting RNA synthesis in susceptible bacteria by binding to the beta-subunit of bacterial deoxyribonucleic acid (DNA)-dependent ribonucleic acid (RNA) polymerase enzyme. This results in the blockage of the translocation step that normally follows the formation of the first phosphodiester bond, which occurs in the transcription process. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins D005765 - Gastrointestinal Agents

   
   

2alpha,7beta,9alpha,10beta,13-pentaacetoxy-11beta-hydroxy-5alpha-(2-hydroxy-3-N,N-dimethylamino-3-phenyl)-propanoyloxytaxa-4(20),12-diene

2alpha,7beta,9alpha,10beta,13-pentaacetoxy-11beta-hydroxy-5alpha-(2-hydroxy-3-N,N-dimethylamino-3-phenyl)-propanoyloxytaxa-4(20),12-diene

C41H55NO14 (785.3622369999999)


   
   
   

Rifaximin

[(9E,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

C43H51N3O11 (785.3523416)


A semisynthetic rifamycin derivative and non-systemic gastrointestinal site-specific broad spectrum antibiotic. Used in the treatment of travellers diarrhea, hepatic encephalopathy and irritable bowel syndrome. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins C254 - Anti-Infective Agent > C258 - Antibiotic D005765 - Gastrointestinal Agents CONFIDENCE standard compound; INTERNAL_ID 1179 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3693 INTERNAL_ID 1179; CONFIDENCE standard compound

   
   

Refaximin

Refaximin

C43H51N3O11 (785.3523416)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins D005765 - Gastrointestinal Agents

   

methyl (7E,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19S,20E)-2-acetyloxy-11,12,14,16,18,19,31-heptahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

methyl (7E,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19S,20E)-2-acetyloxy-11,12,14,16,18,19,31-heptahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

C40H51NO15 (785.3258536)


   

Euphodendrophane F, (rel)-

Euphodendrophane F, (rel)-

C40H51NO15 (785.3258536)


A natural product found in Euphorbia dendroides.

   

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

C43H51N3O11 (785.3523416)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use

   

[(7R,9E,11S,12R,13S,14R,15R,16S,17S,18R,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

[(7R,9E,11S,12R,13S,14R,15R,16S,17S,18R,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

C43H51N3O11 (785.3523416)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytridec-4-en-2-yl]butanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytridec-4-en-2-yl]butanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]hexanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]hexanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]heptanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]heptanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]nonanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]nonanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradec-4-en-2-yl]propanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradec-4-en-2-yl]propanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]octanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]octanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodec-4-en-2-yl]pentanamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodec-4-en-2-yl]pentanamide

C35H63NO18 (785.4044938000001)


   

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadec-4-en-2-yl]acetamide

N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadec-4-en-2-yl]acetamide

C35H63NO18 (785.4044938000001)


   

5-Me-dC(Ac) amidite

5-Me-dC(Ac) amidite

C42H52N5O8P (785.3553322)


5-Me-dC(Ac) amidite is used for synthesizing DNA or RNA[1].

   

(1s,4r,7s,10s,13s,16s)-26-amino-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

(1s,4r,7s,10s,13s,16s)-26-amino-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C41H51N7O9 (785.3748076)


   

2alpha-acetoxy-2'beta-deacetyl-1-hydrolaustrospicatine

NA

C41H55NO14 (785.3622369999999)


{"Ingredient_id": "HBIN005262","Ingredient_name": "2alpha-acetoxy-2'beta-deacetyl-1-hydrolaustrospicatine","Alias": "NA","Ingredient_formula": "C41H55NO14","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25471","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2α-acetoxy-2'β-deacetyl-1-hydroxyaustrospi-catine

NA

C41H55NO14 (785.3622369999999)


{"Ingredient_id": "HBIN005263","Ingredient_name": "2\u03b1-acetoxy-2'\u03b2-deacetyl-1-hydroxyaustrospi-catine","Alias": "NA","Ingredient_formula": "C41H55NO14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "152","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,4r,7s,10s,13s,16s)-25-amino-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

(1s,4r,7s,10s,13s,16s)-25-amino-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C41H51N7O9 (785.3748076)


   

(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-n-[(1s)-1-{[(1s)-1-{[(1s)-4-carbamimidamido-1-{[(1s)-1-(c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]butanediimidic acid

(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-n-[(1s)-1-{[(1s)-1-{[(1s)-4-carbamimidamido-1-{[(1s)-1-(c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]butanediimidic acid

C39H51N11O7 (785.3972736000001)


   

(8s)-10-{[(2r,4s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-9,10-dihydro-7h-tetracene-5,12-dione

(8s)-10-{[(2r,4s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-9,10-dihydro-7h-tetracene-5,12-dione

C40H51NO15 (785.3258536)


   

(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-n-[(acetyloxy)methyl]-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methylpentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-2-methyl-5-phenylpentanoic acid

(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-n-[(acetyloxy)methyl]-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methylpentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-2-methyl-5-phenylpentanoic acid

C40H59N5O9S (785.4033284000001)


   

(8s,10s)-10-{[(2r,4s,5r,6r)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-1,6,8,11-tetrahydroxy-8-[(1r)-1-hydroxyethyl]-9,10-dihydro-7h-tetracene-5,12-dione

(8s,10s)-10-{[(2r,4s,5r,6r)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-1,6,8,11-tetrahydroxy-8-[(1r)-1-hydroxyethyl]-9,10-dihydro-7h-tetracene-5,12-dione

C40H51NO15 (785.3258536)


   

(7r,8r)-10-{[(2r,4s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,7,8,11-pentahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

(7r,8r)-10-{[(2r,4s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,7,8,11-pentahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

C40H51NO15 (785.3258536)


   

2,7,9,10,13-pentakis(acetyloxy)-11-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

2,7,9,10,13-pentakis(acetyloxy)-11-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

C41H55NO14 (785.3622369999999)


   

(1r,2r,3r,5s,7s,8s,9r,10s,11s)-2,7,9,10,13-pentakis(acetyloxy)-11-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-5-yl (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

(1r,2r,3r,5s,7s,8s,9r,10s,11s)-2,7,9,10,13-pentakis(acetyloxy)-11-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-5-yl (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

C41H55NO14 (785.3622369999999)