Exact Mass: 838.3411684
Exact Mass Matches: 838.3411684
Found 43 metabolites which its exact mass value is equals to given mass value 838.3411684,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heme O
3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid
C49H58FeN4O5 (838.3756367999999)
Heme O differs from the closely related heme A by having a methyl group at ring position 8 instead of the formyl group, the isoprenoid chain at position 2 is the same (Wikipedia). Heme O differs from the closely related heme A by having a methyl group at ring position 8 instead of the formyl group, the isoprenoid chain at position 2 is the same . [HMDB]
Glecaprevir
26-tert-butyl-N-[2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0^{3,12}.0^{5,10}.0^{18,22}]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
RSC-3388
N[[2S,4R)-4-[([1,1-biphenyl]-2-ylmethyl)(2-methylpropyl)amino]-1-[2-(2,4-difluorobenzoyl)benzoyl]-2-pyrrolidinyl]methyl]-3-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-2-propenamide
C49H44F2N4O5S (838.3000317999999)
clathsterol disulfonic acid
(2beta,3alpha,15alpha,16beta,24xi)-15-(acetyloxy)-16-hydroxy-2,3-bis(sulfooxy)stigmastane-22,23-diyl dibutanoate
C39H66O15S2 (838.3842926000001)
A steroid sulfate which is 16-hydroxystigmastane-2,3-diyl disulfonic acid that is substituted by a acetyloxy group at position 15 and by butanoyloxy groups at positions 22 and 23.
Glecaprevir
Glecaprevir
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C281 - Antiviral Agent
(14Z)-26-tert-butyl-N-[2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
(14Z)-26-tert-butyl-N-[2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
[3,3-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron
[3,3-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron
C49H58FeN4O5 (838.3756367999999)
(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
methyl 6-{[4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->2)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->3)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->2)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl]oxy}hexanoate
methyl 6-{[4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->2)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->3)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->2)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl]oxy}hexanoate
C35H58N4O19 (838.3695078000001)
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-[(3-phenylprop-2-enoyl)oxy]-hexahydrospiro[1-benzofuran-2,2'-oxane]-6-carboxylate
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-[(3-phenylprop-2-enoyl)oxy]-hexahydrospiro[1-benzofuran-2,2'-oxane]-6-carboxylate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
3-chloro-2-(8-{2-[5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl}-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl)-6-hydroxy-5-methylbenzoic acid
3-chloro-2-(8-{2-[5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl}-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl)-6-hydroxy-5-methylbenzoic acid
7-deacetyl-7-benzoyltaxayuntin c
NA
{"Ingredient_id": "HBIN013140","Ingredient_name": "7-deacetyl-7-benzoyltaxayuntin c","Alias": "NA","Ingredient_formula": "C47H50O14","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1OC(=O)C)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C6=CC=CC=C6)C)OC(=O)C)OC(=O)C7=CC=CC=C7","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4731","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s,7s,13r,22r)-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(4-methoxy-2-methyl-1h-indol-3-yl)methyl]-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
(4s,7s,13r,22r)-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(4-methoxy-2-methyl-1h-indol-3-yl)methyl]-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
C41H46N10O8S (838.3220636000001)
5,9,16-tris(acetyloxy)-2,11-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
5,9,16-tris(acetyloxy)-2,11-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1s,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1s,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
3-chloro-2-[(2s,4r,5s,6s,8r)-8-[(2s,3r,4r,5s,7r,9s,10s,12r,15r)-2-[(2r,4r,5s)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6-hydroxy-5-methylbenzoic acid
3-chloro-2-[(2s,4r,5s,6s,8r)-8-[(2s,3r,4r,5s,7r,9s,10s,12r,15r)-2-[(2r,4r,5s)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6-hydroxy-5-methylbenzoic acid
(1s,3'r,4'r,5'r,6'r)-3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,7r,8e,10e)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
(1s,3'r,4'r,5'r,6'r)-3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,7r,8e,10e)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
13-ethyl-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(5-methoxy-1h-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
13-ethyl-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(5-methoxy-1h-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
C41H46N10O8S (838.3220636000001)
5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
5,11,16-tris(acetyloxy)-2,9-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(4s,7s,13r,22r)-13-ethyl-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(4-methoxy-1h-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
(4s,7s,13r,22r)-13-ethyl-2,5,8,11,14,20-hexahydroxy-4-(1h-indol-3-ylmethyl)-7-[(4-methoxy-1h-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),2,5,8,11,14,20,23(26)-octaen-17-one
C41H46N10O8S (838.3220636000001)
(2s,3r,4s,5r,6r)-4-(acetyloxy)-3-{[(2s,3r,4s,5r,6r)-4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3s,3ar,4'r,5's,6r,7as)-3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrospiro[1-benzofuran-2,2'-oxane]-6-carboxylate
(2s,3r,4s,5r,6r)-4-(acetyloxy)-3-{[(2s,3r,4s,5r,6r)-4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3s,3ar,4'r,5's,6r,7as)-3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrospiro[1-benzofuran-2,2'-oxane]-6-carboxylate
(1s,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,9,16-tris(acetyloxy)-2,11-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1s,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5,9,16-tris(acetyloxy)-2,11-bis(benzoyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-3-{[(2r,3r,4s,5s,6s)-6-carboxy-4-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-3-{[(2r,3r,4s,5s,6s)-6-carboxy-4-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
3-chloro-2-[(2s,4r,5s,6s,8r)-8-[(2r,3r,4r,7r,10s,12r,15r)-2-[(4r)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6-hydroxy-5-methylbenzoic acid
3-chloro-2-[(2s,4r,5s,6s,8r)-8-[(2r,3r,4r,7r,10s,12r,15r)-2-[(4r)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6-hydroxy-5-methylbenzoic acid
3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-[(3,4,5-trihydroxy-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl 7-hydroxyhexadeca-2,4,8,10-tetraenoate
3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-[(3,4,5-trihydroxy-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl 7-hydroxyhexadeca-2,4,8,10-tetraenoate
1-{[(3e,5e,7r,8s,12s,13s,14e,16s)-19-[(2s,3s,4s,5s,6s)-6-[(acetyloxy)methyl]-3-hydroxy-5-(c-hydroxycarbonimidoyloxy)-4-methoxyoxan-2-yl]-21-chloro-8,10,22-trihydroxy-7-methoxy-3,13,15-trimethyl-18-oxo-11-oxa-9,19-diazatricyclo[18.3.1.1⁸,¹²]pentacosa-1(23),3,5,9,14,20(24),21-heptaen-16-yl]oxy}-n-methylmethanimidic acid
1-{[(3e,5e,7r,8s,12s,13s,14e,16s)-19-[(2s,3s,4s,5s,6s)-6-[(acetyloxy)methyl]-3-hydroxy-5-(c-hydroxycarbonimidoyloxy)-4-methoxyoxan-2-yl]-21-chloro-8,10,22-trihydroxy-7-methoxy-3,13,15-trimethyl-18-oxo-11-oxa-9,19-diazatricyclo[18.3.1.1⁸,¹²]pentacosa-1(23),3,5,9,14,20(24),21-heptaen-16-yl]oxy}-n-methylmethanimidic acid