Exact Mass: 594.2590554
Exact Mass Matches: 594.2590554
Found 127 metabolites which its exact mass value is equals to given mass value 594.2590554
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Aceroside VIII
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
(3beta,16beta,17alpha,18beta,20alpha)-17-hydroxy-11-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-yohimban-16-carboxylic acid, methyl ester|ent-17beta-Hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent-17beta-hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester|neonorreserpine|reserpine
(3R)-1,7-bis-(4-dihydroxyphenyl)-3-heptanol 3-O-beta-D-glucopyranosyl(1->3)-beta-D-xylopyranoside
ent18alpha-Hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent18alpha-hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester
6-Deacetyl-12beta-hydroxyscilliroside|6-desacetyl-12beta-hydroxy-scilliroside
(7S,7R,8R,8S)-7-butoxy-7,9-epoxy-4,4,9-trihydroxy-3,3-dimethoxylignane 9-O-beta-D-glucopyranoside
(2alpha,3alpha,4beta)-3,21-Disulfate,Cholest-5-ene-2,3,4,21-tetrol
C27H46O10S2 (594.2532256000001)
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_minor
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_62.5\\%
Phe Gly Trp Trp
Phe Trp Gly Trp
Phe Trp Trp Gly
Gly Phe Trp Trp
Gly Trp Phe Trp
Gly Trp Trp Phe
Lys Met Met Trp
C27H42N6O5S2 (594.2657962000001)
Lys Met Trp Met
C27H42N6O5S2 (594.2657962000001)
Lys Trp Met Met
C27H42N6O5S2 (594.2657962000001)
Met Lys Met Trp
C27H42N6O5S2 (594.2657962000001)
Met Lys Trp Met
C27H42N6O5S2 (594.2657962000001)
Met Met Lys Trp
C27H42N6O5S2 (594.2657962000001)
Met Met Trp Lys
C27H42N6O5S2 (594.2657962000001)
Met Trp Lys Met
C27H42N6O5S2 (594.2657962000001)
Met Trp Met Lys
C27H42N6O5S2 (594.2657962000001)
Trp Phe Gly Trp
Trp Phe Trp Gly
Trp Gly Phe Trp
Trp Gly Trp Phe
Trp Lys Met Met
C27H42N6O5S2 (594.2657962000001)
Trp Met Lys Met
C27H42N6O5S2 (594.2657962000001)
Trp Met Met Lys
C27H42N6O5S2 (594.2657962000001)
Trp Trp Phe Gly
Trp Trp Gly Phe
1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
ST 24:5;O7;Hex
(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
4,4,4-trifluoro-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
1-[(4R,7R,8S)-5-[(2-chlorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-methoxyphenyl)urea
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
(1s,2s,3s,4s,5r,8r,9s,11r,12z,17r)-2,9-bis(acetyloxy)-4,5-dihydroxy-12-(hydroxymethyl)-4,8,17-trimethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1r,2s,3e,5r,7s,8z,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
5-[(1r,3ar,3bs,5r,7s,9ar,9br,11r,11as)-3a,3b,5,11-tetrahydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
2,9,10,13-tetrakis(acetyloxy)-5,11-dihydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-7-yl acetate
(1r,2s,3z,5s,7s,8e,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
1beta-dehydroxy-4alpha-deacetylbaccatin iv
{"Ingredient_id": "HBIN002386","Ingredient_name": "1beta-dehydroxy-4alpha-deacetylbaccatin iv","Alias": "1\u03b2-dehydroxy-4\u03b1-deacetylbaccatin iv","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)(CO4)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": "25935;4983","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deacetyltaxachitriene a
{"Ingredient_id": "HBIN005507","Ingredient_name": "2-deacetyltaxachitriene a","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)O)COC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100927232","DrugBank_id": "NA"}
5alpha-deacetylbaccatin
{"Ingredient_id": "HBIN011416","Ingredient_name": "5alpha-deacetylbaccatin","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)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": "26032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-deacetylbaccatini
{"Ingredient_id": "HBIN011417","Ingredient_name": "5\u03b1-deacetylbaccatini","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)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": "4720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-epicanadense
{"Ingredient_id": "HBIN011529","Ingredient_name": "5-epicanadense","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO)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": "6849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceroside viii
{"Ingredient_id": "HBIN014385","Ingredient_name": "aceroside viii","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "C1C(C(C(O1)OCC2C(C(C(C(O2)OC(CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "46889081","DrugBank_id": "NA"}