Exact Mass: 542.2853
Exact Mass Matches: 542.2853
Found 132 metabolites which its exact mass value is equals to given mass value 542.2853,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chaetoglobosin N
(7Z,11E)-19-[1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11-diene-2,5,6,21-tetrone
Chaetoglobosin N is found in cereals and cereal products. Chaetoglobosin N is isolated from Phomopsis leptostromiformis on sweet corn (Zea mays Isolated from Phomopsis leptostromiformis on sweet corn (Zea mays). Chaetoglobosin N is found in cereals and cereal products.
Asp Pro Arg Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Asp Arg Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Asp Arg Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Ile Pro Gln Trp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid
Ile Pro Trp Gln
(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid
Ile Gln Pro Trp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Ile Gln Trp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Ile Trp Pro Gln
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
Ile Trp Gln Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid
Leu Pro Gln Trp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid
Leu Pro Trp Gln
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid
Leu Gln Pro Trp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Leu Gln Trp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Leu Trp Pro Gln
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
Leu Trp Gln Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid
Pro Asp Arg Arg
(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]pentanoic acid
Pro Ile Gln Trp
(2S)-2-[(2S)-4-carbamoyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]-3-(1H-indol-3-yl)propanoic acid
Pro Ile Trp Gln
(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanoic acid
Pro Leu Gln Trp
(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]-3-(1H-indol-3-yl)propanoic acid
Pro Leu Trp Gln
(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanoic acid
Pro Gln Ile Trp
(2S)-2-[(2S,3S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Pro Gln Leu Trp
(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Pro Gln Trp Ile
(2S,3S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Pro Gln Trp Leu
(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Pro Arg Asp Arg
(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-carboxypropanamido]pentanoic acid
Pro Arg Arg Asp
(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]butanedioic acid
Pro Trp Ile Gln
(2S)-4-carbamoyl-2-[(2S,3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylpentanamido]butanoic acid
Pro Trp Leu Gln
(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-methylpentanamido]butanoic acid
Pro Trp Gln Ile
(2S,3S)-2-[(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-3-methylpentanoic acid
Pro Trp Gln Leu
(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-4-methylpentanoic acid
Gln Ile Pro Trp
(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Gln Ile Trp Pro
(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Gln Leu Pro Trp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Gln Leu Trp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Gln Pro Ile Trp
(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Gln Pro Leu Trp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Gln Pro Trp Ile
(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Gln Pro Trp Leu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Gln Trp Ile Pro
(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Gln Trp Leu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Gln Trp Pro Ile
(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Gln Trp Pro Leu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Arg Asp Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Arg Asp Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Arg Pro Asp Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
Arg Pro Arg Asp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanedioic acid
Arg Arg Asp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Arg Arg Pro Asp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
Trp Ile Pro Gln
(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
Trp Ile Gln Pro
(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid
Trp Leu Pro Gln
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
Trp Leu Gln Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid
Trp Pro Ile Gln
(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-carbamoylbutanoic acid
Trp Pro Leu Gln
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-carbamoylbutanoic acid
Trp Pro Gln Ile
(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoic acid
Trp Pro Gln Leu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-4-methylpentanoic acid
Trp Gln Ile Pro
(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Trp Gln Leu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Trp Gln Pro Ile
(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Trp Gln Pro Leu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Chaetoglobosin N
19-[1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0^{1,18}.0^{14,16}]henicosa-7,11-diene-2,5,6,21-tetrone
[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] phosphate
[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] phosphate
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
(1r,2s,3as,4r,5s,9s,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1r,2s,3as,4r,5s,9s,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
methyl 5-{2-formyl-5,5,8a-trimethyl-6,7-bis[(2-methylbut-2-enoyl)oxy]-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}-3-methyl-4-oxopent-2-enoate
methyl 5-{2-formyl-5,5,8a-trimethyl-6,7-bis[(2-methylbut-2-enoyl)oxy]-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}-3-methyl-4-oxopent-2-enoate
methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate
methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate
(2e,4e,6e,8e,10r,11s)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
(2e,4e,6e,8e,10r,11s)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate
[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetyloxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate; benzoic acid [(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] ester
{"Ingredient_id": "HBIN003076","Ingredient_name": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate","Alias": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetyloxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate; benzoic acid [(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] ester","Ingredient_formula": "C31H42O8","Ingredient_Smile": "NA","Ingredient_weight": "542.66","OB_score": "7.920598515","CAS_id": "90052-87-2","SymMap_id": "SMIT14048","TCMID_id": "NA","TCMSP_id": "MOL013397","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ardisiaquinone d
NA
{"Ingredient_id": "HBIN016668","Ingredient_name": "ardisiaquinone d","Alias": "NA","Ingredient_formula": "C31H42O8","Ingredient_Smile": "CC1=C(C(=O)C(=C(C1=O)O)CCCCCCCC=CCCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)OC","Ingredient_weight": "542.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1632","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10347303","DrugBank_id": "NA"}
(1s,2r,3ar,4r,5r,9s,11s,13ar)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,2r,3ar,4r,5r,9s,11s,13ar)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,2r,3ar,4s,5s,9r,11r,13as)-3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,2r,3ar,4s,5s,9r,11r,13as)-3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(3e,7e,11e)-6,21-dihydroxy-19-[1-(1h-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraene-2,5-dione
(3e,7e,11e)-6,21-dihydroxy-19-[1-(1h-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraene-2,5-dione
6-hydroxy-6-{13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,7-dien-14-yl}-2-methyl-5-oxohept-3-en-2-yl acetate
6-hydroxy-6-{13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,7-dien-14-yl}-2-methyl-5-oxohept-3-en-2-yl acetate
4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
methyl (2r,6s)-6-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate
methyl (2r,6s)-6-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate
2-hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
2-hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate
(1r,3r,3as,4's,6ar)-3-{2-[(2s)-6-(acetyloxy)-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]acetyl}-3a,5',5',6a-tetramethyl-tetrahydrospiro[cyclopenta[c]furan-1,2'-oxolan]-4'-yl acetate
(1r,3r,3as,4's,6ar)-3-{2-[(2s)-6-(acetyloxy)-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]acetyl}-3a,5',5',6a-tetramethyl-tetrahydrospiro[cyclopenta[c]furan-1,2'-oxolan]-4'-yl acetate
4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(2e,4e,6e,8e)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
(2e,4e,6e,8e)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
3-{1-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-oxoheptyl}-4-hydroxy-5-isopropyl-6-propylpyran-2-one
3-{1-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-oxoheptyl}-4-hydroxy-5-isopropyl-6-propylpyran-2-one
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
methyl (2r,5e)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate
methyl (2r,5e)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate
(2e,4e,6e,8e)-12-{[(1s,3r,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
(2e,4e,6e,8e)-12-{[(1s,3r,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
methyl 6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate
methyl 6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate
(1's,2r,4s,4's,4''r,6s,6''r,9r,9''s,9as,9''as)-6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
(1's,2r,4s,4's,4''r,6s,6''r,9r,9''s,9as,9''as)-6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl}hept-3-en-2-yl acetate
6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl}hept-3-en-2-yl acetate
(1s,2r,5r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate
(1s,2r,5r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate
methyl (2z)-5-[(1r,4ar,6s,7r,8as)-2-formyl-5,5,8a-trimethyl-6,7-bis({[(2z)-2-methylbut-2-enoyl]oxy})-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-4-oxopent-2-enoate
methyl (2z)-5-[(1r,4ar,6s,7r,8as)-2-formyl-5,5,8a-trimethyl-6,7-bis({[(2z)-2-methylbut-2-enoyl]oxy})-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-4-oxopent-2-enoate
2-hydroxy-3-[(8z)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
2-hydroxy-3-[(8z)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(3e,6r)-6-hydroxy-6-[(1r,10s,11s,13r,14r,15r)-13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,7-dien-14-yl]-2-methyl-5-oxohept-3-en-2-yl acetate
(3e,6r)-6-hydroxy-6-[(1r,10s,11s,13r,14r,15r)-13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,7-dien-14-yl]-2-methyl-5-oxohept-3-en-2-yl acetate
(3r)-5-oxooxolan-3-yl (2r,3s,6s,7s,9r)-2-[(2s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate
(3r)-5-oxooxolan-3-yl (2r,3s,6s,7s,9r)-2-[(2s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate
(3e,6r)-6-[(1r,2r,3as,3bs,9br,11ar)-2,7,8-trihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
(3e,6r)-6-[(1r,2r,3as,3bs,9br,11ar)-2,7,8-trihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
2-hydroxy-3-[(8z)-16-(2-hydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
2-hydroxy-3-[(8z)-16-(2-hydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-6-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
