Exact Mass: 540.3927
Exact Mass Matches: 540.3927
Found 252 metabolites which its exact mass value is equals to given mass value 540.3927,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
TG(8:0/8:0/a-13:0)[rac]
1-capryloyl-2-capryloyl-3-anteisotridecanoyl-glycerol
TG(8:0/8:0/a-13:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(8:0/8:0/a-13:0) is made up of one octanoyl(R1), one octanoyl(R2), and one 10-methyldodecanoyl(R3).
TG(8:0/8:0/i-13:0)
[(2S)-2,3-di(octanoyloxy)propyl] 11-methyldodecanoate
TG(8:0/8:0/i-13:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(8:0/8:0/i-13:0) is made up of one octanoyl(R1), one octanoyl(R2), and one 11-methyldodecanoyl(R3).
TG(8:0/8:0/13:0)
1-capryloyl-2-capryloyl-3-animal fats-glycerol
TG(8:0/8:0/13:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(8:0/8:0/13:0) is made up of one octanoyl(R1), one octanoyl(R2), and one tridecanoyl(R3).
TG(a-13:0/8:0/8:0)[rac]
(2R)-2,3-Bis(octanoyloxy)propyl 10-methyldodecanoic acid
TG(a-13:0/8:0/8:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(a-13:0/8:0/8:0) is made up of one 10-methyldodecanoyl(R1), one octanoyl(R2), and one octanoyl(R3).
TG(i-13:0/8:0/8:0)
(2R)-2,3-Bis(octanoyloxy)propyl 11-methyldodecanoic acid
TG(i-13:0/8:0/8:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(i-13:0/8:0/8:0) is made up of one 11-methyldodecanoyl(R1), one octanoyl(R2), and one octanoyl(R3).
TG(13:0/8:0/8:0)
(2R)-2,3-Bis(octanoyloxy)propyl tridecanoic acid
TG(13:0/8:0/8:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(13:0/8:0/8:0) is made up of one tridecanoyl(R1), one octanoyl(R2), and one octanoyl(R3).
Leptomycin B
17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
5
3-propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]-2H-pyran-2-one
5 is a member of the class of compounds known as diterpene lactones. Diterpene lactones are diterpenoids containing a lactone moiety. 5 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5 can be found in roman camomile, which makes 5 a potential biomarker for the consumption of this food product. 5 is a non-carcinogenic (not listed by IARC) potentially toxic compound. 5 (five ) is a number, numeral, and glyph. It is the natural number following 4 and preceding 6 . Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as ‚Äúmanganism‚Äù (L228) (T3DB). 5 is a member of the class of compounds known as diterpene lactones. Diterpene lactones are diterpenoids containing a lactone moiety. 5 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5 can be found in roman camomile, which makes 5 a potential biomarker for the consumption of this food product. 5 is a non-carcinogenic (not listed by IARC) potentially toxic compound. 5 (five ) is a number, numeral, and glyph. It is the natural number following 4 and preceding 6 . Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism” (L228) (T3DB).
15beta,16beta-Isopropylidenedioxy-5alpha-cholest-3beta,4beta,6alpha,7alpha,8beta,26-hexaol
15beta,16beta-Isopropylidenedioxy-5alpha-cholest-3beta,4beta,6alpha,7alpha,8beta,26-hexaol
22beta-isobutyryloxy-3-oxoolean-12-en-28-oic acid|lantadene D
22beta-isobutyryloxy-3-oxoolean-12-en-28-oic acid|lantadene D
Leptomycin B
(2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
A leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000970 - Antineoplastic Agents
15??,16??-Isopropylidenedioxy-5??-cholest-3??,4??,6??,7??,8??,26-hexaol
15??,16??-Isopropylidenedioxy-5??-cholest-3??,4??,6??,7??,8??,26-hexaol
22-Ketone,di-Ac -(3beta,22beta)-12-Oleanene-3,22,24-triol
22-Ketone,di-Ac -(3beta,22beta)-12-Oleanene-3,22,24-triol
7-oxo-8beta-D:C-friedo-olean-9(11)-ene-3alpha,29-diol diacetate
7-oxo-8beta-D:C-friedo-olean-9(11)-ene-3alpha,29-diol diacetate
3alpha-Isobutyryloxy-2beta,15-dihydroxy-ent-labd-7-ene-2-O-beta-fucopyranoside
3alpha-Isobutyryloxy-2beta,15-dihydroxy-ent-labd-7-ene-2-O-beta-fucopyranoside
Ile Pro Arg Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Ile Arg Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Ile Arg Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Leu Pro Arg Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Leu Arg Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Leu Arg Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Pro Ile Arg Arg
(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid
Pro Leu Arg Arg
(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid
Pro Arg Ile Arg
(2S)-5-carbamimidamido-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-methylpentanamido]pentanoic acid
Pro Arg Leu Arg
(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-4-methylpentanamido]pentanoic acid
Pro Arg Arg Ile
(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-3-methylpentanoic acid
Pro Arg Arg Leu
(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-4-methylpentanoic acid
Arg Ile Pro Arg
(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Arg Ile Arg Pro
(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Arg Leu Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Arg Leu Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Arg Pro Ile Arg
(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanoic acid
Arg Pro Leu Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-5-carbamimidamidopentanoic acid
Arg Pro Arg Ile
(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-methylpentanoic acid
Arg Pro Arg Leu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-methylpentanoic acid
Arg Arg Ile Pro
(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Arg Arg Leu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Arg Arg Pro Ile
(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Arg Arg Pro Leu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
(5Z,7E)-(1S,3R)-25,25-diphenyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1α,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1α,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol
(5b,7a,12a)-2-(3-methoxyphenyl)-2-oxoethyl ester-7,12-dihydroxy-cholan-24-oic acid
(5b,7a,12a)-2-(3-methoxyphenyl)-2-oxoethyl ester-7,12-dihydroxy-cholan-24-oic acid
1alpha,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3
(5Z,7E)-(1S,3R)-25,25-diphenyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1,4,8,11-Tetrakis(dimethylaminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
1,4,8,11-Tetrakis(dimethylaminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
(2E,24R)-24-[(alpha-L-ascarosyl)oxy]-2-methylpentacos-2-enoic acid
(2E,24R)-24-[(alpha-L-ascarosyl)oxy]-2-methylpentacos-2-enoic acid
An (omega-1)-hydroxy fatty acid ascaroside obtained by obtained by formal condensation of the alcoholic hydroxy group of (2E,24R)-2-methylpentacos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
O-[[[(R)-3-(Hexadecyloxy)-2-[acetylthio]propyl]oxy]phosphonyl]choline
O-[[[(R)-3-(Hexadecyloxy)-2-[acetylthio]propyl]oxy]phosphonyl]choline
2,3-Dihydroxypropyl (3-henicosoxy-2-hydroxypropyl) hydrogen phosphate
2,3-Dihydroxypropyl (3-henicosoxy-2-hydroxypropyl) hydrogen phosphate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
[1-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]-3-hydroxypropan-2-yl] hexanoate
[1-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]-3-hydroxypropan-2-yl] hexanoate
[1-hydroxy-3-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoxy]propan-2-yl] butanoate
[1-hydroxy-3-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoxy]propan-2-yl] butanoate
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-hydroxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-hydroxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-Decoxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] decanoate
[1-Decoxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] decanoate
[3-hydroxy-2-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[3-hydroxy-2-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-carboxy-3-[3-[(9E,11E)-henicosa-9,11-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[3-[(9E,11E)-henicosa-9,11-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
[3-hydroxy-2-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[3-hydroxy-2-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-carboxy-3-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-decanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-decanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[2-[(4E,7E)-deca-4,7-dienoyl]oxy-3-decanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[2-[(4E,7E)-deca-4,7-dienoyl]oxy-3-decanoyloxypropoxy]propyl]-trimethylazanium
[3-[2,3-bis[[(E)-dec-4-enoyl]oxy]propoxy]-1-carboxypropyl]-trimethylazanium
[3-[2,3-bis[[(E)-dec-4-enoyl]oxy]propoxy]-1-carboxypropyl]-trimethylazanium
[1-carboxy-3-[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
[3-[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[3-[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[3-[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[3-[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[1-carboxy-3-[3-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[3-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[carboxy-[2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
2-[carboxy-[2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
1-tuberculosinyladenosine(1+)
1-tuberculosinyladenosine(1+)
An organic cation that is adenosine alkylated at position N1 by a tuberculosinyl group.
methyl (6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoate
methyl (6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoate
(3r,6s)-6-[(1s,3r,8r,11s,12s,14s,15r,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
(3r,6s)-6-[(1s,3r,8r,11s,12s,14s,15r,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
methyl (1r,3r,4r,7s,8s,11r,12s,13s,15s,16s,18r)-13-(acetyloxy)-3,7,12-trimethyl-4-[(2r)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.0³,⁷.0⁸,¹⁸.0¹¹,¹⁶.0¹⁶,¹⁸]nonadecane-12-carboxylate
methyl (1r,3r,4r,7s,8s,11r,12s,13s,15s,16s,18r)-13-(acetyloxy)-3,7,12-trimethyl-4-[(2r)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.0³,⁷.0⁸,¹⁸.0¹¹,¹⁶.0¹⁶,¹⁸]nonadecane-12-carboxylate
3-propyl-6-[(2r,3s,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
3-propyl-6-[(2r,3s,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
(4r,4as,6as,6br,8ar,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2-methylpropanoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
(4r,4as,6as,6br,8ar,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2-methylpropanoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
methyl 3-[7-(acetyloxy)-4,8-dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoate
methyl 3-[7-(acetyloxy)-4,8-dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoate
n-[14-(acetyloxy)-15-[1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]-2-methylbut-2-enimidic acid
n-[14-(acetyloxy)-15-[1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]-2-methylbut-2-enimidic acid
[(1r,3ar,5ar,5br,7ar,8r,9s,11ar,11br,13ar,13bs)-9-(acetyloxy)-3a,5a,5b,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate
[(1r,3ar,5ar,5br,7ar,8r,9s,11ar,11br,13ar,13bs)-9-(acetyloxy)-3a,5a,5b,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate
6-[(1s,3r,12s,14s,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
6-[(1s,3r,12s,14s,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
15β,16β-isopropylidenedioxy-5α-cholest-3β,4β,6α,7α,8β,26-hexaol
NA
{"Ingredient_id": "HBIN001626","Ingredient_name": "15\u03b2,16\u03b2-isopropylidenedioxy-5\u03b1-cholest-3\u03b2,4\u03b2,6\u03b1,7\u03b1,8\u03b2,26-hexaol","Alias": "NA","Ingredient_formula": "C30H52O8","Ingredient_Smile": "CC(CCCC(C)C1C2C(C3C1(CCC4C3(C(C(C5C4(CCC(C5O)O)C)O)O)O)C)OC(O2)(C)C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-{5-[5'-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl}-2-methylhept-3-ene-2,6-diol
6-{5-[5'-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl}-2-methylhept-3-ene-2,6-diol
9'-hydroxy-6-isopropyl-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-5',10',12',16'-tetraene-3',7'-dione
9'-hydroxy-6-isopropyl-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-5',10',12',16'-tetraene-3',7'-dione
(3r,6r)-6-[(1s,3r,8r,11s,12s,14s,15r,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
(3r,6r)-6-[(1s,3r,8r,11s,12s,14s,15r,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
(1r,4r,5ar,9ar,9br,11as)-1-[(2s)-5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,4r,5ar,9ar,9br,11as)-1-[(2s)-5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
4-{[6-amino-2-({1,3-dihydroxy-2-[(1-hydroxydodeca-2,4-dien-1-ylidene)amino]butylidene}amino)-1-hydroxyhexylidene]amino}-3-hydroxypentanoic acid
4-{[6-amino-2-({1,3-dihydroxy-2-[(1-hydroxydodeca-2,4-dien-1-ylidene)amino]butylidene}amino)-1-hydroxyhexylidene]amino}-3-hydroxypentanoic acid
[9-(acetyloxy)-3a,5a,5b,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate
[9-(acetyloxy)-3a,5a,5b,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate
(3e,6s)-6-[(2r,5s)-5-[(2r,2's,5r,5'r)-5'-[(2s,4e)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
(3e,6s)-6-[(2r,5s)-5-[(2r,2's,5r,5'r)-5'-[(2s,4e)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
(3e,6r)-6-[(2r,5s)-5-[(2r,2's,5r,5'r)-5'-[(2r,4e)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
(3e,6r)-6-[(2r,5s)-5-[(2r,2's,5r,5'r)-5'-[(2r,4e)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
(2s,3s)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptan-3-yl acetate
(2s,3s)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptan-3-yl acetate
(2e)-n-[(6s,7r,8r,11r,12s,14r,15s,16r)-14-(acetyloxy)-15-[(1s)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]-2-methylbut-2-enimidic acid
(2e)-n-[(6s,7r,8r,11r,12s,14r,15s,16r)-14-(acetyloxy)-15-[(1s)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]-2-methylbut-2-enimidic acid
(1s,3br,4r,5ar,9ar,9br,11as)-1-[(2r,3s,5r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1s,3br,4r,5ar,9ar,9br,11as)-1-[(2r,3s,5r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1s,3br,4r,5ar,9ar,9br,11as)-1-[(2s,3s,5r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1s,3br,4r,5ar,9ar,9br,11as)-1-[(2s,3s,5r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
methyl 3-[(1s,4r,5r,7s,8s,9r,12s,13r)-7-(acetyloxy)-4,8-dimethyl-5-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoate
methyl 3-[(1s,4r,5r,7s,8s,9r,12s,13r)-7-(acetyloxy)-4,8-dimethyl-5-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoate
methyl 6-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoate
methyl 6-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoate
4,4',5,5'-tetramethyl-1',3-bis(3-methylbutyl)-1,3'-bis(2-phenylethyl)-[2,2'-biimidazolylidene]-1,3-diium
4,4',5,5'-tetramethyl-1',3-bis(3-methylbutyl)-1,3'-bis(2-phenylethyl)-[2,2'-biimidazolylidene]-1,3-diium
2,2,6a,6b,9,9,12a-heptamethyl-4-[(2-methylpropanoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
2,2,6a,6b,9,9,12a-heptamethyl-4-[(2-methylpropanoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
6,12-bis(hydroxymethyl)-3,9-dimethyl-6,12-dinonyl-1,7-dioxacyclododecane-2,8-dione
6,12-bis(hydroxymethyl)-3,9-dimethyl-6,12-dinonyl-1,7-dioxacyclododecane-2,8-dione
[10-(acetyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picen-2-yl]methyl acetate
[10-(acetyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picen-2-yl]methyl acetate
methyl 3-{5-hydroxy-2,3-dimethyl-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-8-(3-methylbut-2-en-1-yl)-4,7-dioxo-2,3-dihydro-1-benzopyran-6-yl}hexanoate
methyl 3-{5-hydroxy-2,3-dimethyl-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-8-(3-methylbut-2-en-1-yl)-4,7-dioxo-2,3-dihydro-1-benzopyran-6-yl}hexanoate
6-[14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
6-[14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-1-en-3-yl acetate
(2e,10e,12e,16z,18e)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
(2e,10e,12e,16z,18e)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
(7e,15e,19e)-4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-[(1e,3z,5z)-3-methylnona-1,3,5,8-tetraen-1-yl]-1-oxacyclodocosa-7,15,19-trien-2-one
(7e,15e,19e)-4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-[(1e,3z,5z)-3-methylnona-1,3,5,8-tetraen-1-yl]-1-oxacyclodocosa-7,15,19-trien-2-one
5-(5-hydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylpropanoate
5-(5-hydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylpropanoate
(4s)-4-{[(2s)-6-amino-2-{[(2s,3r)-1,3-dihydroxy-2-{[(2e,4e)-1-hydroxydodeca-2,4-dien-1-ylidene]amino}butylidene]amino}-1-hydroxyhexylidene]amino}-3-hydroxypentanoic acid
(4s)-4-{[(2s)-6-amino-2-{[(2s,3r)-1,3-dihydroxy-2-{[(2e,4e)-1-hydroxydodeca-2,4-dien-1-ylidene]amino}butylidene]amino}-1-hydroxyhexylidene]amino}-3-hydroxypentanoic acid
3-propyl-6-[(3s,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
3-propyl-6-[(3s,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
(7e,15e,19e)-4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-[(2z,4z,6e)-3-methylnona-2,4,6,8-tetraen-1-yl]-1-oxacyclodocosa-7,15,19-trien-2-one
(7e,15e,19e)-4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-[(2z,4z,6e)-3-methylnona-2,4,6,8-tetraen-1-yl]-1-oxacyclodocosa-7,15,19-trien-2-one
4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-(3-methylnona-2,4,6,8-tetraen-1-yl)-1-oxacyclodocosa-7,15,19-trien-2-one
4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-(3-methylnona-2,4,6,8-tetraen-1-yl)-1-oxacyclodocosa-7,15,19-trien-2-one
3-propyl-6-[(2r,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
3-propyl-6-[(2r,4e,7e,10e,12e,15r,16r,17s,18e)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
methyl (3s)-3-[(2r,3r,8s)-5-hydroxy-2,3-dimethyl-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-8-(3-methylbut-2-en-1-yl)-4,7-dioxo-2,3-dihydro-1-benzopyran-6-yl]hexanoate
methyl (3s)-3-[(2r,3r,8s)-5-hydroxy-2,3-dimethyl-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-8-(3-methylbut-2-en-1-yl)-4,7-dioxo-2,3-dihydro-1-benzopyran-6-yl]hexanoate
1-[5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
1-[5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
[(2r,4as,6as,8ar,10r,12as,14as,14br)-10-(acetyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picen-2-yl]methyl acetate
[(2r,4as,6as,8ar,10r,12as,14as,14br)-10-(acetyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picen-2-yl]methyl acetate
(2s,3s,4as,5r,8as)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylpropanoate
(2s,3s,4as,5r,8as)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylpropanoate
4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-(3-methylnona-1,3,5,8-tetraen-1-yl)-1-oxacyclodocosa-7,15,19-trien-2-one
4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-(3-methylnona-1,3,5,8-tetraen-1-yl)-1-oxacyclodocosa-7,15,19-trien-2-one
2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptan-3-yl acetate
2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptan-3-yl acetate
