Exact Mass: 590.266
Exact Mass Matches: 590.266
Found 124 metabolites which its exact mass value is equals to given mass value 590.266
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
MeOSuc-Ala-Ala-Pro-Val-PNA
methyl (4S,5Z,6S)-4-[2-[[(1S,2R,3R,5R)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
5,14-dihydroxy-3beta-(O3-methyl-6-deoxy-alpha(?)-L(?)-glucopyranosyloxy)-16,19-dioxo-5beta,14beta-bufa-20,22-dienolide|5,14-Dihydroxy-3beta-(O3-methyl-6-desoxy-alpha(?)-L(?)-glucopyranosyloxy)-16,19-dioxo-5beta,14beta-bufa-20,22-dienolid
maireine B|methyl (5alpha,12beta,19alpha)-2,3-didehydro-20-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}aspidospermidine-3-carboxylate
Ajuganipponin A
Ajuganipponin A is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is an acetate ester, a butenolide, a diterpene lactone, an enoate ester and a spiro-epoxide. Ajuganipponin A is a natural product found in Ajuga ciliata with data available. A diterpene lactone isolated from the whole plants of Ajuga ciliata.
3,21-Disulfate-(3alpha,4beta)-Ergosta-5,24(28)-diene-3,4,21-triol
methyl (4S,5Z,6S)-4-[2-[[(1S,2R,3R,5R)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_major
Glu Glu Lys Trp
Glu Glu Trp Lys
Glu Lys Glu Trp
Glu Lys Trp Glu
Glu Trp Glu Lys
Glu Trp Lys Glu
Phe Phe Phe Met
Phe Phe Met Phe
Phe Met Phe Phe
Phe Val Tyr Tyr
Phe Tyr Val Tyr
Phe Tyr Tyr Val
Lys Glu Glu Trp
Lys Glu Trp Glu
Lys Trp Glu Glu
Met Phe Phe Phe
Val Phe Tyr Tyr
Val Tyr Phe Tyr
Val Tyr Tyr Phe
Trp Glu Glu Lys
Trp Glu Lys Glu
Trp Lys Glu Glu
Tyr Phe Val Tyr
Tyr Phe Tyr Val
Tyr Val Phe Tyr
Tyr Val Tyr Phe
Tyr Tyr Phe Val
Tyr Tyr Val Phe
Rescimetol
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
Methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
3-cyclohexyl-1-[[(2S,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
3-cyclohexyl-1-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
(1R)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
3-cyclohexyl-1-[[(2S,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
(1S)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
2,4,8-tris(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl 2-methylbut-2-enoate
(1r,3r,4r,6s,7r,8r,9s,10s,11r,12z,14s,15s,16s)-6,10,15-tris(acetyloxy)-3,7,12,16-tetramethyl-2-oxo-5,18-dioxapentacyclo[12.3.1.0¹,¹⁴.0⁴,⁸.0⁷,⁹]octadec-12-en-11-yl (2s)-2-methylbutanoate
(1'r,2r,3'r,6'z,8'e,10's,13's,14'r,19'r,23'r,24's,25's)-13'-hydroxy-10'-[(1s)-1-hydroxyethyl]-14',21',25'-trimethyl-5',16'-dioxo-4',11',17',27'-tetraoxaspiro[oxirane-2,26'-tetracyclo[21.3.1.0³,²⁵.0¹⁹,²⁴]heptacosane]-6',8',21'-trien-14'-yl acetate
(1s,3r,5s,7r,9r,10s,12r,14r,15s,18r,19r,20r,22s,23r)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-2,7-bis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-9-(propanoyloxy)-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-10-yl butanoate
14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-9-yl acetate
7,9,10-trideacetyl-abeo-baccatin vi
{"Ingredient_id": "HBIN012996","Ingredient_name": "7,9,10-trideacetyl-abeo-baccatin vi","Alias": "NA","Ingredient_formula": "C31H42O11","Ingredient_Smile": "CC1C(CC2(C1C(C(C3(C(CC4C(C3C2OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O)C(C)(C)O)OC(=O)C","Ingredient_weight": "590.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21586","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101663486","DrugBank_id": "NA"}
ajugacumbin C
{"Ingredient_id": "HBIN014963","Ingredient_name": "ajugacumbin C","Alias": "ajugacumbin c; Ajugacumbin C","Ingredient_formula": "C31H42O11","Ingredient_Smile": "CC=C(C)C(=O)OCC12C(CC(C(C1C(CC(C23CO3)OC(=O)C)OC(=O)C)(C)CCC4=CC(=O)OC4)C)OC(=O)C","Ingredient_weight": "590.66","OB_score": "26.12041063","CAS_id": "124961-68-8","SymMap_id": "SMIT09135;SMIT14202","TCMID_id": "790","TCMSP_id": "MOL007758;MOL007942","TCM_ID_id": "NA","PubChem_id": "6442459","DrugBank_id": "NA"}