Exact Mass: 454.3096

Exact Mass Matches: 454.3096

Found 157 metabolites which its exact mass value is equals to given mass value 454.3096, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ceanothenic acid

(1S,2R,9S,13R,15R,18S)-2,6,6,9-tetramethyl-15-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-7-ene-1,18-dicarboxylic acid

C29H42O4 (454.3083)


Ceanothenic acid is found in tea. Ceanothenic acid is a constituent of Ceanothus americanus (New Jersey tea). Constituent of Ceanothus americanus (New Jersey tea). Ceanothenic acid is found in tea.

   

Ubiquinone-4

2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-

C29H42O4 (454.3083)


Ubiquinone-4 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-4 has just 4 isoprene units. Normally in humans it has 10 (CoQ10). Ubiquinone-4 is an intermediate in the synthesis of Ubiquionone 10. Ubiquinone-4 is a Coenzyme Q analogue that have been identified in brain. Based on the isoprenoid moiety, the presence of various coenzyme Q homologues in prokaryotes and eurkaryotes has been confirmed, and these homologues are classified as Q1, Q2, Q3, Q4, Q5, Q6, Q7, Q8, Q9, Q10, Q11, and Q12. The numbers, Qn, refer to the number of isoprenoid units attached at the 6- position on the benzoquinone ring of the coenzyme Q moiety. (PMID: 12064350) Coenzyme Q is the only type of Quinone naturally found in animals (other quinones such as vitamin K is provided by foods). Coenzyme Q is a fat-soluble and amphipathic compound that is the integral component of the electron transport chain in mitochondria. It is ubiquitous in nature and is found in subcellular organelles, serum lipoproteins, blood plasma, urine, and feces. Ubiquinones are amphipathic because of the benzoquinone ring (hydrophilic) and the polyisoprenoid side chain moiety (lipophilic). The primary role of coenzyme Q is to transfer electrons between redox components of the electron transport chain, to create a proton gradient across the inner mitochondrial membrane and drive ATP formation. Additional functions of coenzyme Q are to influence membrane fluidity; to recycle the radical forms of vitamin C and E; and, most important, to act as a lipid antioxidant protecting membrane phospholipids against peroxidation. Coenzyme Q is the only endogenously occurring lipid-soluble antioxidant that occurs ubiquitously and can be synthesized in all organisms. Isolated from various yeasts

   

13'-Carboxy-alpha-tocotrienol

(2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

C29H42O4 (454.3083)


13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate

   

Ile-Ile-Ile-Pro

1-[2-({2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxy-3-methylpentylidene}amino)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

23-Deoxyantheridiol

23-Deoxyantheridiol

C29H42O4 (454.3083)


   
   

11-Oxopfaffic acid

11-Oxopfaffic acid

C29H42O4 (454.3083)


   

cystalgerone

cystalgerone

C29H42O4 (454.3083)


   

27-hydroxy-3-oxo-9beta-lanosta-7,24-dien-26,23R-olide

27-hydroxy-3-oxo-9beta-lanosta-7,24-dien-26,23R-olide

C29H42O4 (454.3083)


   

Tripterygone

Tripterygone

C29H42O4 (454.3083)


   

4alpha-methylergosta-8,24(28)-diene-3,11-dione-26-oic acid|antcin A

4alpha-methylergosta-8,24(28)-diene-3,11-dione-26-oic acid|antcin A

C29H42O4 (454.3083)


   

wilforic acid A

wilforic acid A

C29H42O4 (454.3083)


   

ligulamulienin A

ligulamulienin A

C29H42O4 (454.3083)


   

Eupteleogenin

Eupteleogenin

C29H42O4 (454.3083)


   

2alpha,3beta-dihydroxy-24-nor-urs-4(23),11-dien-28,13beta-olide|ilekudinol A

2alpha,3beta-dihydroxy-24-nor-urs-4(23),11-dien-28,13beta-olide|ilekudinol A

C29H42O4 (454.3083)


   

21beta-hydroxycaloncobalactone

21beta-hydroxycaloncobalactone

C29H42O4 (454.3083)


   

17beta-hydroxy-3,11,16-trioxo-28-norolean-12-ene|17??-Hydroxy-3,11,16-trioxo-28-norolean-12-ene

17beta-hydroxy-3,11,16-trioxo-28-norolean-12-ene|17??-Hydroxy-3,11,16-trioxo-28-norolean-12-ene

C29H42O4 (454.3083)


   
   
   

2-methyl-5,5-[(8Z)-hexadec-8-ene-1,16-diyl]bisresorcinol

2-methyl-5,5-[(8Z)-hexadec-8-ene-1,16-diyl]bisresorcinol

C29H42O4 (454.3083)


   

13,27-cyclo-19alpha-hydroxy-3-oxo-24-nor-olean-11-en-28-oic acid|donellanic acid A

13,27-cyclo-19alpha-hydroxy-3-oxo-24-nor-olean-11-en-28-oic acid|donellanic acid A

C29H42O4 (454.3083)


   

11alpha,12alpha-epoxy-3beta-hydroxy-24-nor-olean-4(23)-en-28,13beta-olide

11alpha,12alpha-epoxy-3beta-hydroxy-24-nor-olean-4(23)-en-28,13beta-olide

C29H42O4 (454.3083)


   

3beta-hydroxy-1-oxo-30-norolean-12,20(29)-dien-28-oic acid|euscaphic acid H

3beta-hydroxy-1-oxo-30-norolean-12,20(29)-dien-28-oic acid|euscaphic acid H

C29H42O4 (454.3083)


   

atacamycin C

atacamycin C

C29H42O4 (454.3083)


   

firmanoic acid

firmanoic acid

C29H42O4 (454.3083)


   

3beta-hydroxyl-21/23,23/27-diepoxy-29-nor-5alpha-cycloart-24-en-27-one|aphagrandinoid A

3beta-hydroxyl-21/23,23/27-diepoxy-29-nor-5alpha-cycloart-24-en-27-one|aphagrandinoid A

C29H42O4 (454.3083)


   

(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1-((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a-(epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione|29-nor-3-oxo-7beta,8beta-epoxy-5alpha-lanost-24-en-30,9alpha-olide

(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1-((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a-(epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione|29-nor-3-oxo-7beta,8beta-epoxy-5alpha-lanost-24-en-30,9alpha-olide

C29H42O4 (454.3083)


   

Ile Ile Ile Pro

(2S)-1-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Ile Ile Leu Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Ile Ile Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Ile Pro Leu

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Leu Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Ile Leu Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Ile Leu Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Leu Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Pro Ile Ile

(2S,3S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Pro Ile Leu

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Pro Leu Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Ile Pro Leu Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Ile Ile Pro

(2S)-1-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Leu Ile Leu Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Leu Ile Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Ile Pro Leu

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Leu Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Leu Leu Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C23H42N4O5 (454.3155)


   

Leu Leu Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Leu Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Pro Ile Ile

(2S,3S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Pro Ile Leu

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Pro Leu Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Leu Pro Leu Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanoic acid

C23H42N4O5 (454.3155)


   

Pro Ile Ile Ile

(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Ile Ile Leu

(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Ile Leu Ile

(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Ile Leu Leu

(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Leu Ile Ile

(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Leu Ile Leu

(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Leu Leu Ile

(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Pro Leu Leu Leu

(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]pentanoic acid

C23H42N4O5 (454.3155)


   

Coenzyme Q4

2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-

C29H42O4 (454.3083)


   

26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol

26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol

C27H41F3O2 (454.3058)


   

(5Z,7E)-(1S,3R)-24a,24b-dihomo-24a,24b-epoxy-9,10-seco-5,7,10(19)-cholestatriene-23-yne-1,3,25-triol

24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1α,25-dihydroxyvitamin D3 / 24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1α,25-dihydroxycholecalciferol

C29H42O4 (454.3083)


   

Ceanothenic acid

2,6,6,9-tetramethyl-15-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-7-ene-1,18-dicarboxylic acid

C29H42O4 (454.3083)


   

26,26,26-trifluoro-25-hydroxyvitamin D3

(5Z,7E)-(3S)-26,26,26-trifluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

C27H41O2F3 (454.3058)


   

24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3

(5Z,7E)-(1S,3R)-24a,24b-dihomo-24a,24b-epoxy-9,10-seco-5,7,10(19)-cholestatriene-23-yne-1,3,25-triol

C29H42O4 (454.3083)


   

Sinubrasone C

(26S)-Methyl 3-oxo-22R,23R-epoxy-24R-methyl-chola-1,4-diene-26-oate

C29H42O4 (454.3083)


   

Chinensen D

methyl -(2,5-dihydroxy-3-geranylgeranyl phenyl)acetate

C29H42O4 (454.3083)


   

quindecamine

quindecamine

C30H38N4 (454.3096)


   

4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether

4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether

C29H42O4 (454.3083)


   

1,3-DI-O-BENZYL-2-O-LAUROYLGLYCEROL

1,3-DI-O-BENZYL-2-O-LAUROYLGLYCEROL

C29H42O4 (454.3083)


   

(4-octoxyphenyl)-(4-octoxyphenyl)imino-oxidoazanium

(4-octoxyphenyl)-(4-octoxyphenyl)imino-oxidoazanium

C28H42N2O3 (454.3195)


   

Antcin A

Antcin A

C29H42O4 (454.3083)


A natural product found in Taiwanofungus camphoratus.

   

26,26,26-trifluoro-25-hydroxyvitamin D3/26,26,26-trifluoro-25-hydroxycholecalciferol

26,26,26-trifluoro-25-hydroxyvitamin D3/26,26,26-trifluoro-25-hydroxycholecalciferol

C27H41F3O2 (454.3058)


   

24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3/24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxycholecalciferol

24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3/24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxycholecalciferol

C29H42O4 (454.3083)


   

10-Deoxymethymycin(1+)

10-Deoxymethymycin(1+)

C25H44NO6+ (454.3168)


An ammonium ion resulting from the protonation of the amino group of 10-deoxymethymycin. Major species at pH 7.3.

   

Wilforic acid

Wilforic acid

C29H42O4 (454.3083)


A pentacyclic triterpenoid with formula C29H42O4, originally isolated from Tripterygium sp.

   

[1-carboxy-3-[2-hydroxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropoxy]propyl]-trimethylazanium

[1-carboxy-3-[2-hydroxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropoxy]propyl]-trimethylazanium

C25H44NO6+ (454.3168)


   

13-Carboxy-alpha-tocotrienol

13-Carboxy-alpha-tocotrienol

C29H42O4 (454.3083)


   

NA-Trp 17:1(9Z)

NA-Trp 17:1(9Z)

C28H42N2O3 (454.3195)


   

FAHFA 10:1/O-19:6

FAHFA 10:1/O-19:6

C29H42O4 (454.3083)


   

FAHFA 10:2/O-19:5

FAHFA 10:2/O-19:5

C29H42O4 (454.3083)


   

FAHFA 10:3/O-19:4

FAHFA 10:3/O-19:4

C29H42O4 (454.3083)


   

FAHFA 11:1/O-18:6

FAHFA 11:1/O-18:6

C29H42O4 (454.3083)


   

FAHFA 11:2/O-18:5

FAHFA 11:2/O-18:5

C29H42O4 (454.3083)


   

FAHFA 11:3/O-18:4

FAHFA 11:3/O-18:4

C29H42O4 (454.3083)


   

FAHFA 12:2/O-17:5

FAHFA 12:2/O-17:5

C29H42O4 (454.3083)


   

FAHFA 12:3/O-17:4

FAHFA 12:3/O-17:4

C29H42O4 (454.3083)


   

FAHFA 12:4/O-17:3

FAHFA 12:4/O-17:3

C29H42O4 (454.3083)


   

FAHFA 13:2/O-16:5

FAHFA 13:2/O-16:5

C29H42O4 (454.3083)


   

FAHFA 13:3/O-16:4

FAHFA 13:3/O-16:4

C29H42O4 (454.3083)


   

FAHFA 13:4/O-16:3

FAHFA 13:4/O-16:3

C29H42O4 (454.3083)


   

FAHFA 14:2/O-15:5

FAHFA 14:2/O-15:5

C29H42O4 (454.3083)


   

FAHFA 14:3/O-15:4

FAHFA 14:3/O-15:4

C29H42O4 (454.3083)


   

FAHFA 14:4/O-15:3

FAHFA 14:4/O-15:3

C29H42O4 (454.3083)


   

FAHFA 15:3/O-14:4

FAHFA 15:3/O-14:4

C29H42O4 (454.3083)


   

FAHFA 15:4/O-14:3

FAHFA 15:4/O-14:3

C29H42O4 (454.3083)


   

FAHFA 15:5/O-14:2

FAHFA 15:5/O-14:2

C29H42O4 (454.3083)


   

FAHFA 16:3/O-13:4

FAHFA 16:3/O-13:4

C29H42O4 (454.3083)


   

FAHFA 16:4/O-13:3

FAHFA 16:4/O-13:3

C29H42O4 (454.3083)


   

FAHFA 16:5/O-13:2

FAHFA 16:5/O-13:2

C29H42O4 (454.3083)


   

FAHFA 17:3/O-12:4

FAHFA 17:3/O-12:4

C29H42O4 (454.3083)


   

FAHFA 17:4/O-12:3

FAHFA 17:4/O-12:3

C29H42O4 (454.3083)


   

FAHFA 17:5/O-12:2

FAHFA 17:5/O-12:2

C29H42O4 (454.3083)


   

FAHFA 18:4/O-11:3

FAHFA 18:4/O-11:3

C29H42O4 (454.3083)


   

FAHFA 18:5/O-11:2

FAHFA 18:5/O-11:2

C29H42O4 (454.3083)


   

FAHFA 18:6/O-11:1

FAHFA 18:6/O-11:1

C29H42O4 (454.3083)


   

FAHFA 19:4/O-10:3

FAHFA 19:4/O-10:3

C29H42O4 (454.3083)


   

FAHFA 19:5/O-10:2

FAHFA 19:5/O-10:2

C29H42O4 (454.3083)


   

FAHFA 19:6/O-10:1

FAHFA 19:6/O-10:1

C29H42O4 (454.3083)


   

FAHFA 20:4/O-9:3

FAHFA 20:4/O-9:3

C29H42O4 (454.3083)


   

FAHFA 20:5/O-9:2

FAHFA 20:5/O-9:2

C29H42O4 (454.3083)


   

FAHFA 20:6/O-9:1

FAHFA 20:6/O-9:1

C29H42O4 (454.3083)


   

FAHFA 21:5/O-8:2

FAHFA 21:5/O-8:2

C29H42O4 (454.3083)


   

FAHFA 21:6/O-8:1

FAHFA 21:6/O-8:1

C29H42O4 (454.3083)


   

FAHFA 21:7/O-8:0

FAHFA 21:7/O-8:0

C29H42O4 (454.3083)


   

FAHFA 29:7;O

FAHFA 29:7;O

C29H42O4 (454.3083)


   

FAHFA 8:0/O-21:7

FAHFA 8:0/O-21:7

C29H42O4 (454.3083)


   

FAHFA 8:1/O-21:6

FAHFA 8:1/O-21:6

C29H42O4 (454.3083)


   

FAHFA 8:2/O-21:5

FAHFA 8:2/O-21:5

C29H42O4 (454.3083)


   

FAHFA 9:1/O-20:6

FAHFA 9:1/O-20:6

C29H42O4 (454.3083)


   

FAHFA 9:2/O-20:5

FAHFA 9:2/O-20:5

C29H42O4 (454.3083)


   

FAHFA 9:3/O-20:4

FAHFA 9:3/O-20:4

C29H42O4 (454.3083)


   
   

5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

C24H42N2O6 (454.3043)


   

(2r,6r)-6-[(1r,3ar,5ar,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

(2r,6r)-6-[(1r,3ar,5ar,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

C29H42O4 (454.3083)


   

(3r,5s,6r,9r,14ar)-5,7-dihydroxy-3-[(2s,7r)-7-hydroxyoctan-2-yl]-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

(3r,5s,6r,9r,14ar)-5,7-dihydroxy-3-[(2s,7r)-7-hydroxyoctan-2-yl]-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

C24H42N2O6 (454.3043)


   

17β-hydroxy-3,11,16-trioxo-28-norolean-12-ene

NA

C29H42O4 (454.3083)


{"Ingredient_id": "HBIN001995","Ingredient_name": "17\u03b2-hydroxy-3,11,16-trioxo-28-norolean-12-ene","Alias": "NA","Ingredient_formula": "C29H42O4","Ingredient_Smile": "CC1(CCC2(C(C1)C3=CC(=O)C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-3,4,5,6,6b,7,8,13,14,14b-decahydro-1h-picene-2-carboxylic acid

10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-3,4,5,6,6b,7,8,13,14,14b-decahydro-1h-picene-2-carboxylic acid

C29H42O4 (454.3083)


   

19-hydroxy-4,9,10,14,17-pentamethyl-20-methylidene-24-oxahexacyclo[13.7.2.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]tetracosane-8,23-dione

19-hydroxy-4,9,10,14,17-pentamethyl-20-methylidene-24-oxahexacyclo[13.7.2.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]tetracosane-8,23-dione

C29H42O4 (454.3083)


   

(1r,3as,3bs,5as,7s,9as,11as)-9a,11a-dimethyl-1-[(2z)-6-methyl-4-oxohept-2-en-2-yl]-5-oxo-1h,2h,3h,3ah,3bh,4h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

(1r,3as,3bs,5as,7s,9as,11as)-9a,11a-dimethyl-1-[(2z)-6-methyl-4-oxohept-2-en-2-yl]-5-oxo-1h,2h,3h,3ah,3bh,4h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

C29H42O4 (454.3083)


   

(3e,5e,7e,11e,17z,19e)-22-[(1e)-but-1-en-1-yl]-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one

(3e,5e,7e,11e,17z,19e)-22-[(1e)-but-1-en-1-yl]-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one

C29H42O4 (454.3083)


   

(2s,4ar,4bs,6as,12as,12bs,14ar)-10-hydroxy-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-2-yl acetate

(2s,4ar,4bs,6as,12as,12bs,14ar)-10-hydroxy-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-2-yl acetate

C29H42O4 (454.3083)


   

(6r)-6-[(1r,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

(6r)-6-[(1r,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

C29H42O4 (454.3083)


   

22-(but-1-en-1-yl)-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one

22-(but-1-en-1-yl)-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one

C29H42O4 (454.3083)


   

(6r)-6-[(1r,3ar,5as,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

(6r)-6-[(1r,3ar,5as,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid

C29H42O4 (454.3083)


   

(2r,4as,6ar,6br,12br,14as,14br)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-3,4,5,6,6b,7,8,13,14,14b-decahydro-1h-picene-2-carboxylic acid

(2r,4as,6ar,6br,12br,14as,14br)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-3,4,5,6,6b,7,8,13,14,14b-decahydro-1h-picene-2-carboxylic acid

C29H42O4 (454.3083)


   

9a,11a-dimethyl-1-(6-methyl-4-oxohept-2-en-2-yl)-5-oxo-1h,2h,3h,3ah,3bh,4h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

9a,11a-dimethyl-1-(6-methyl-4-oxohept-2-en-2-yl)-5-oxo-1h,2h,3h,3ah,3bh,4h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

C29H42O4 (454.3083)


   

(3ar,7ar)-6-[(2e)-4-(2,5-dimethoxy-3-methylphenyl)-2-methylbut-2-en-1-yl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one

(3ar,7ar)-6-[(2e)-4-(2,5-dimethoxy-3-methylphenyl)-2-methylbut-2-en-1-yl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one

C29H42O4 (454.3083)


   

18-hydroxy-1,2,8,15,19,19-hexamethyl-13-oxohexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carboxylic acid

18-hydroxy-1,2,8,15,19,19-hexamethyl-13-oxohexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carboxylic acid

C29H42O4 (454.3083)


   

(1s,2r,5s,9s,10r,13r,14r,15r,18s)-2,6,6,9-tetramethyl-15-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-7-ene-1,18-dicarboxylic acid

(1s,2r,5s,9s,10r,13r,14r,15r,18s)-2,6,6,9-tetramethyl-15-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-7-ene-1,18-dicarboxylic acid

C29H42O4 (454.3083)


   

5-[(8z)-16-(3-hydroxy-5-methoxyphenyl)hexadec-8-en-1-yl]benzene-1,3-diol

5-[(8z)-16-(3-hydroxy-5-methoxyphenyl)hexadec-8-en-1-yl]benzene-1,3-diol

C29H42O4 (454.3083)


   

(9r,14as)-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

(9r,14as)-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

C24H42N2O6 (454.3043)


   

(2r,4as,6br,8ar,12ar,12bs,14as,14bs)-4a-formyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6b,7,8,8a,11,12,12b,13,14,14a-tetradecahydropicene-2-carboxylic acid

(2r,4as,6br,8ar,12ar,12bs,14as,14bs)-4a-formyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6b,7,8,8a,11,12,12b,13,14,14a-tetradecahydropicene-2-carboxylic acid

C29H42O4 (454.3083)


   

5-(2-{6,6,9a,11a-tetramethyl-7-oxo-1h,2h,3h,3ah,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}propyl)-3-(hydroxymethyl)-5h-furan-2-one

5-(2-{6,6,9a,11a-tetramethyl-7-oxo-1h,2h,3h,3ah,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}propyl)-3-(hydroxymethyl)-5h-furan-2-one

C29H42O4 (454.3083)


   

8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,9,10,12,12a,14a-decahydro-1h-picene-3,8,14-trione

8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,9,10,12,12a,14a-decahydro-1h-picene-3,8,14-trione

C29H42O4 (454.3083)


   

1-[3-({9-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-yl}oxy)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1h-naphthalen-2-yl]ethanone

1-[3-({9-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-yl}oxy)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1h-naphthalen-2-yl]ethanone

C29H42O4 (454.3083)


   

5-[(8z)-16-(3,5-dihydroxyphenyl)hexadec-8-en-1-yl]-2-methylbenzene-1,3-diol

5-[(8z)-16-(3,5-dihydroxyphenyl)hexadec-8-en-1-yl]-2-methylbenzene-1,3-diol

C29H42O4 (454.3083)


   

(1r,2s,4s,5s,8r,10s,14r,15s,18s,20r)-18-hydroxy-1,2,8,15,19,19-hexamethyl-13-oxohexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carboxylic acid

(1r,2s,4s,5s,8r,10s,14r,15s,18s,20r)-18-hydroxy-1,2,8,15,19,19-hexamethyl-13-oxohexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carboxylic acid

C29H42O4 (454.3083)


   

5-[16-(3,5-dihydroxyphenyl)hexadec-8-en-1-yl]-2-methylbenzene-1,3-diol

5-[16-(3,5-dihydroxyphenyl)hexadec-8-en-1-yl]-2-methylbenzene-1,3-diol

C29H42O4 (454.3083)


   

6-{6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid

6-{6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid

C29H42O4 (454.3083)


   

(4ar,6ar,6bs,8ar,12as,14ar,14bs)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,9,10,12,12a,14a-decahydro-1h-picene-3,8,14-trione

(4ar,6ar,6bs,8ar,12as,14ar,14bs)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,9,10,12,12a,14a-decahydro-1h-picene-3,8,14-trione

C29H42O4 (454.3083)


   

1-[(4ar,8s,8ar)-3-{[(4ar,5s,8as,9s)-9-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-yl]oxy}-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1h-naphthalen-2-yl]ethanone

1-[(4ar,8s,8ar)-3-{[(4ar,5s,8as,9s)-9-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-yl]oxy}-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1h-naphthalen-2-yl]ethanone

C29H42O4 (454.3083)


   

(5r)-5-[(2r)-2-[(1r,3ar,5ar,9ar,9br,11ar)-6,6,9a,11a-tetramethyl-7-oxo-1h,2h,3h,3ah,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]propyl]-3-(hydroxymethyl)-5h-furan-2-one

(5r)-5-[(2r)-2-[(1r,3ar,5ar,9ar,9br,11ar)-6,6,9a,11a-tetramethyl-7-oxo-1h,2h,3h,3ah,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]propyl]-3-(hydroxymethyl)-5h-furan-2-one

C29H42O4 (454.3083)


   

(2s,4ar,4bs,6as,12as,12br,14ar)-10-hydroxy-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-2-yl acetate

(2s,4ar,4bs,6as,12as,12br,14ar)-10-hydroxy-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-2-yl acetate

C29H42O4 (454.3083)


   

(1r,4s,5s,9r,10s,13s,14r,15s,17r,19s,22r)-19-hydroxy-4,9,10,14,17-pentamethyl-20-methylidene-24-oxahexacyclo[13.7.2.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]tetracosane-8,23-dione

(1r,4s,5s,9r,10s,13s,14r,15s,17r,19s,22r)-19-hydroxy-4,9,10,14,17-pentamethyl-20-methylidene-24-oxahexacyclo[13.7.2.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]tetracosane-8,23-dione

C29H42O4 (454.3083)


   

4a-formyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6b,7,8,8a,11,12,12b,13,14,14a-tetradecahydropicene-2-carboxylic acid

4a-formyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6b,7,8,8a,11,12,12b,13,14,14a-tetradecahydropicene-2-carboxylic acid

C29H42O4 (454.3083)