Exact Mass: 590.2774
Exact Mass Matches: 590.2774
Found 170 metabolites which its exact mass value is equals to given mass value 590.2774
,
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
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
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.
Glu Glu Lys Trp
Glu Glu Trp Lys
Glu Lys Glu Trp
Glu Lys Trp Glu
Glu Arg Thr Trp
Glu Arg Trp Thr
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Glu Trp Glu Lys
Glu Trp Lys Glu
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Phe Val Tyr Tyr
Phe Tyr Val Tyr
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Ile Ser Trp Trp
Ile Trp Ser Trp
Ile Trp Trp Ser
Lys Glu Glu Trp
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Leu Ser Trp Trp
Leu Trp Ser Trp
Leu Trp Trp Ser
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Arg Trp Thr Glu
Ser Ile Trp Trp
Ser Leu Trp Trp
Ser Trp Ile Trp
Ser Trp Leu Trp
Ser Trp Trp Ile
Ser Trp Trp Leu
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Val Thr Trp Trp
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Val Tyr Tyr Phe
Trp Glu Glu Lys
Trp Glu Lys Glu
Trp Glu Arg Thr
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Trp Ile Ser Trp
Trp Ile Trp Ser
Trp Lys Glu Glu
Trp Leu Ser Trp
Trp Leu Trp Ser
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Trp Ser Ile Trp
Trp Ser Leu Trp
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Trp Ser Trp Leu
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Trp Thr Trp Val
Trp Val Thr Trp
Trp Val Trp Thr
Trp Trp Ile Ser
Trp Trp Leu Ser
Trp Trp Ser Ile
Trp Trp Ser Leu
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Tyr Tyr Val Phe
butane-1,4-diol,2,2-dimethylpropane-1,3-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
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
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
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
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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
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
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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
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
({22-hydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18-pentaen-9-yl}oxy)methanimidic acid
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"}