Exact Mass: 450.37089000000003

Exact Mass Matches: 450.37089000000003

Found 110 metabolites which its exact mass value is equals to given mass value 450.37089000000003, within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error 4.0E-5 dalton.

6-Deoxocastasterone

(1S,2S,4R,5S,7S,10R,11S,14R,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol

C28H50O4 (450.37089000000003)


6-Deoxocastasterone belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols, and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. Thus, 6-deoxocastasterone is considered to be a sterol lipid molecule. 6-Deoxocastasterone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 6-Deoxocastasterone is found in common bean and has been isolated from Phaseolus vulgaris (kidney bean). Isolated from Phaseolus vulgaris (kidney bean). 6-Deoxocastasterone is found in many foods, some of which are jerusalem artichoke, alaska blueberry, sourdough, and yautia.

   

3-epi-6-Deoxocastasterone

(2S,4R,5R,7S,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol

C28H50O4 (450.37089000000003)


3-epi-6-deoxocastasterone belongs to tetrahydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. 3-epi-6-deoxocastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-epi-6-deoxocastasterone can be found in common bean, green bean, and yellow wax bean, which makes 3-epi-6-deoxocastasterone a potential biomarker for the consumption of these food products.

   

(1R,1R,2S,2S,4aR,4aR,6R,6S,8aS,8aS)-1,1-(ethane-1,2-diyl)bis[decahydro-5,5,8a-trimethylnaphthalene-2,6-diol]|(3beta,8beta,14alpha,21beta)-26,27-dinoronocerane-3,8,14,21-tetrol

(1R,1R,2S,2S,4aR,4aR,6R,6S,8aS,8aS)-1,1-(ethane-1,2-diyl)bis[decahydro-5,5,8a-trimethylnaphthalene-2,6-diol]|(3beta,8beta,14alpha,21beta)-26,27-dinoronocerane-3,8,14,21-tetrol

C28H50O4 (450.37089000000003)


   

(24S)-24-methylcholestane-3beta,5alpha,6beta,7beta-tetrol|(24S)-ergostane-3beta,5alpha,6beta,7beta-tetrol|(3beta,5alpha,6beta,7beta,24S)-Ergostane-3,5,6,7-tetrol|5alpha-ergostane-3beta,5,6beta,7beta-tetrol

(24S)-24-methylcholestane-3beta,5alpha,6beta,7beta-tetrol|(24S)-ergostane-3beta,5alpha,6beta,7beta-tetrol|(3beta,5alpha,6beta,7beta,24S)-Ergostane-3,5,6,7-tetrol|5alpha-ergostane-3beta,5,6beta,7beta-tetrol

C28H50O4 (450.37089000000003)


   

(24S)-24-methyl-5alpha-cholestane-1beta,3beta,5,6beta-tetrol|(24S)-24-methylcholestane-1beta,3beta,5alpha,6beta-tetrol|(24S)-ergostane-1beta,3beta,5alpha,6beta-tetraol

(24S)-24-methyl-5alpha-cholestane-1beta,3beta,5,6beta-tetrol|(24S)-24-methylcholestane-1beta,3beta,5alpha,6beta-tetrol|(24S)-ergostane-1beta,3beta,5alpha,6beta-tetraol

C28H50O4 (450.37089000000003)


   
   

(24S)-ergostane-3beta,5alpha,6beta-triol

(24S)-ergostane-3beta,5alpha,6beta-triol

C28H50O4 (450.37089000000003)


   
   
   

ST 28:0;O4

campestan-2alpha,3alpha,22R,23R-tetrol

C28H50O4 (450.37089000000003)


   

[2,5-bis(3,7-dimethyloctoxy)-4-(hydroxymethyl)phenyl]methanol

[2,5-bis(3,7-dimethyloctoxy)-4-(hydroxymethyl)phenyl]methanol

C28H50O4 (450.37089000000003)


   

1,2,3,6-TETRAHYDROPHTHALIC ACID DIISODECYL ESTER

1,2,3,6-TETRAHYDROPHTHALIC ACID DIISODECYL ESTER

C28H50O4 (450.37089000000003)


   

11-[2-(11-hydroxyundecoxy)phenoxy]undecan-1-ol

11-[2-(11-hydroxyundecoxy)phenoxy]undecan-1-ol

C28H50O4 (450.37089000000003)


   
   
   
   

[1-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propan-2-yl] pentanoate

[1-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propan-2-yl] pentanoate

C28H50O4 (450.37089000000003)


   

(1-hydroxy-3-nonoxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

(1-hydroxy-3-nonoxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C28H50O4 (450.37089000000003)


   

[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] nonanoate

[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] nonanoate

C28H50O4 (450.37089000000003)


   

[1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] heptanoate

[1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] heptanoate

C28H50O4 (450.37089000000003)


   

[1-[(10Z,13Z,16Z)-docosa-10,13,16-trienoxy]-3-hydroxypropan-2-yl] propanoate

[1-[(10Z,13Z,16Z)-docosa-10,13,16-trienoxy]-3-hydroxypropan-2-yl] propanoate

C28H50O4 (450.37089000000003)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

2-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxyacetic acid

2-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxyacetic acid

C28H50O4 (450.37089000000003)


   

ergosta-3beta,5alpha,6beta,25-tetrol

ergosta-3beta,5alpha,6beta,25-tetrol

C28H50O4 (450.37089000000003)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

(4as,6s)-5-{2-[(6r)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

(4as,6s)-5-{2-[(6r)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

C28H50O4 (450.37089000000003)


   

(1r,3as,3bs,4r,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol

(1r,3as,3bs,4r,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol

C28H50O4 (450.37089000000003)


   

(1r,3as,3bs,5r,5ar,7s,9ar,9bs,10r,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,10-tetrol

(1r,3as,3bs,5r,5ar,7s,9ar,9bs,10r,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,10-tetrol

C28H50O4 (450.37089000000003)


   

(4e,6s,7s,8e,10s,11s,12e,14s,15r,16s,18s)-7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12-trien-3-one

(4e,6s,7s,8e,10s,11s,12e,14s,15r,16s,18s)-7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12-trien-3-one

C28H50O4 (450.37089000000003)


   

(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol

(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol

C28H50O4 (450.37089000000003)


   

(3β,8β, 14α, 21α)-26, 27-dinoronocerane-3, 8, 14, 21-tetrol

NA

C28H50O4 (450.37089000000003)


{"Ingredient_id": "HBIN008119","Ingredient_name": "(3\u03b2,8\u03b2, 14\u03b1, 21\u03b1)-26, 27-dinoronocerane-3, 8, 14, 21-tetrol","Alias": "NA","Ingredient_formula": "C28H50O4","Ingredient_Smile": "CC1(C2CCC(C(C2(CCC1O)C)CCC3C(CCC4C3(CCC(C4(C)C)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3β,8β,14α,21β)-26,27-dinoronocerane-3,8,14,21-tetrol

NA

C28H50O4 (450.37089000000003)


{"Ingredient_id": "HBIN008120","Ingredient_name": "(3\u03b2,8\u03b2,14\u03b1,21\u03b2)-26,27-dinoronocerane-3,8,14,21-tetrol","Alias": "NA","Ingredient_formula": "C28H50O4","Ingredient_Smile": "CC1(C2CCC(C(C2(CCC1O)C)CCC3C(CCC4C3(CCC(C4(C)C)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,3as,3bs,5r,5ar,7s,9r,9as,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

(1r,3as,3bs,5r,5ar,7s,9r,9as,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

C28H50O4 (450.37089000000003)


   

(2s,3r,4r,5s)-2-[(1r,3br,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

(2s,3r,4r,5s)-2-[(1r,3br,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

(2s,3r,4r,5r)-2-[(1r,3as,3br,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

(2s,3r,4r,5r)-2-[(1r,3as,3br,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

(2s,3r,4r,5s)-2-[(1r,3as,3br,5as,7s,8r,9as,9bs,11ar)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

(2s,3r,4r,5s)-2-[(1r,3as,3br,5as,7s,8r,9as,9bs,11ar)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

(2r,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6r,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

(2r,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6r,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

C28H50O4 (450.37089000000003)


   

(2s,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6s,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

(2s,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6s,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

C28H50O4 (450.37089000000003)


   

2-{7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl}-5,6-dimethylheptane-3,4-diol

2-{7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl}-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12-trien-3-one

7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12-trien-3-one

C28H50O4 (450.37089000000003)


   

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

C28H50O4 (450.37089000000003)


   

5-[2-(2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl)ethyl]-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

5-[2-(2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl)ethyl]-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

C28H50O4 (450.37089000000003)


   

1-(6-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol

1-(6-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol

C28H50O4 (450.37089000000003)


   

(2s,3r,4r,5s)-2-[(1s,3as,3bs,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

(2s,3r,4r,5s)-2-[(1s,3as,3bs,5as,7s,8r,9as,9bs,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

(2s,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6r,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

(2s,4as,5r,6s,8ar)-5-{2-[(1r,2s,4ar,6r,8as)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol

C28H50O4 (450.37089000000003)


   

(2s,3r,4r,5s)-2-[(1r,3as,3br,5as,7s,8r,9as,9br,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

(2s,3r,4r,5s)-2-[(1r,3as,3br,5as,7s,8r,9as,9br,11as)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

C28H50O4 (450.37089000000003)


   

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol

C28H50O4 (450.37089000000003)