Exact Mass: 590.27
Exact Mass Matches: 590.27
Found 107 metabolites which its exact mass value is equals to given mass value 590.27,
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 3-{[1-({1-[2-({2-methyl-1-[(4-nitrophenyl)carbamoyl]propyl}carbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl}carbamoyl)ethyl]carbamoyl}propanoate
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
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
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
[(1S)-2-[(1S,2R,4S,4aR,5R,8R,8aR)-4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (E)-2-methylbut-2-enoate
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
(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-amino-4-carboxybutanamido]butanoic acid
Glu Glu Trp Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
Glu Lys Glu Trp
(4S)-4-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Glu Lys Trp Glu
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Glu Trp Glu Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]hexanoic acid
Glu Trp Lys Glu
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]pentanedioic acid
Phe Val Tyr Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Tyr Val Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Tyr Tyr Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid
Lys Glu Glu Trp
(4S)-4-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid
Lys Glu Trp Glu
(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-2,6-diaminohexanamido]butanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Lys Trp Glu Glu
(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]butanamido]pentanedioic acid
Val Phe Tyr Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Val Tyr Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Val Tyr Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Trp Glu Glu Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]hexanoic acid
Trp Glu Lys Glu
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]hexanamido]pentanedioic acid
Trp Lys Glu Glu
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-4-carboxybutanamido]pentanedioic acid
Tyr Phe Val Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Phe Tyr Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid
Tyr Val Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Val Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Tyr Tyr Phe Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylbutanoic acid
Tyr Tyr Val Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-phenylpropanoic acid
Rescimetol
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
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-[(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
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
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-[(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
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
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
(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
(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
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,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-[(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-[(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-[(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,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-[(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,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-[(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
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-[(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-[(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,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
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
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
(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
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
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
(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
(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,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
(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
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
NA
{"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
ajugacumbin c; 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"}
14-formyl-5,6,22-trihydroxy-8,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
14-formyl-5,6,22-trihydroxy-8,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
(1s,2s)-2-[(1r,2s,3s,7r,10s,13r,15s,16s,17r,18r)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl]-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]propyl acetate
(1s,2s)-2-[(1r,2s,3s,7r,10s,13r,15s,16s,17r,18r)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl]-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]propyl acetate
(1s,3r,5s,7r,9s,10s,12r,14r,15s,18r,19r,20r,22s,23r)-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
(1s,3r,5s,7r,9s,10s,12r,14r,15s,18r,19r,20r,22s,23r)-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
(8'e)-13'-hydroxy-10'-(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
(8'e)-13'-hydroxy-10'-(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,3s,5s,7r,9s,10r,12r,14r,15s,18r,19r,20r,22r,23r)-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
(1s,3s,5s,7r,9s,10r,12r,14r,15s,18r,19r,20r,22r,23r)-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
methyl 5-hydroxy-12-(1-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}ethyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
methyl 5-hydroxy-12-(1-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}ethyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
(1s,3r,5s,6r,8r,10s,12r,14r,15s,18r,19r,20r,22s,23r)-14-formyl-5,6,22-trihydroxy-8,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
(1s,3r,5s,6r,8r,10s,12r,14r,15s,18r,19r,20r,22s,23r)-14-formyl-5,6,22-trihydroxy-8,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2e)-2-methylbut-2-enoate
(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2e)-2-methylbut-2-enoate
(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-2-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-2-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2z)-2-methylbut-2-enoate
(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2z)-2-methylbut-2-enoate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-2-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-2-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,3r,5s,7r,9s,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,3r,5s,7r,9s,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
2-{2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl}-1-(4-methyl-5-oxooxolan-2-yl)propyl acetate
2-{2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl}-1-(4-methyl-5-oxooxolan-2-yl)propyl acetate
8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbut-2-enoate
8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbut-2-enoate
(2s,4r,4ar,5s,6r,8s,8ar)-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 (2e)-2-methylbut-2-enoate
(2s,4r,4ar,5s,6r,8s,8ar)-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 (2e)-2-methylbut-2-enoate
methyl (1r,12r,19r)-5-hydroxy-12-[(1s)-1-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
methyl (1r,12r,19r)-5-hydroxy-12-[(1s)-1-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
(1s,2s)-2-[(1r,2r,3s,7r,10s,13r,15s,16s,17r,18r)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl]-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]propyl acetate
(1s,2s)-2-[(1r,2r,3s,7r,10s,13r,15s,16s,17r,18r)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,¹⁸]henicosan-17-yl]-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]propyl acetate
(1r,2s,4s,4ar,5s,6r,8s,8ar)-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 (2e)-2-methylbut-2-enoate
(1r,2s,4s,4ar,5s,6r,8s,8ar)-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 (2e)-2-methylbut-2-enoate
(1r)-1-[(1'r,2s,3'r,8'r,17'r,18'e,20'z,24'r,25's)-13',14'-dihydroxy-5',13',25'-trimethyl-11',22'-dioxo-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-trien-17'-yl]ethyl acetate
(1r)-1-[(1'r,2s,3'r,8'r,17'r,18'e,20'z,24'r,25's)-13',14'-dihydroxy-5',13',25'-trimethyl-11',22'-dioxo-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-trien-17'-yl]ethyl acetate
1-[(18'z,20'z)-13',14'-dihydroxy-5',13',25'-trimethyl-11',22'-dioxo-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-trien-17'-yl]ethyl acetate
1-[(18'z,20'z)-13',14'-dihydroxy-5',13',25'-trimethyl-11',22'-dioxo-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-trien-17'-yl]ethyl acetate
(1s,3s,5s,7s,9s,10s,12r,14s,15s,18s,19s,20s,22s,23s)-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,3s,5s,7s,9s,10s,12r,14s,15s,18s,19s,20s,22s,23s)-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
