Exact Mass: 450.3934

Exact Mass Matches: 450.3934

Found 172 metabolites which its exact mass value is equals to given mass value 450.3934, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Vitamin K

2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione

C31H46O2 (450.3498)


D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Widely distributed in green leaves and vegetables, especies cabbage and spinach. Infant formula fortifier. Phytomenadione is found in many foods, some of which are swiss chard, fruit salad, milk (cow), and common buckwheat. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.

   

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 (450.3709)


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.

   

Plakinamine B

Plakinamine B

C31H50N2 (450.3974)


   

Vitamin K1

MIXTURE OF THE TRANS (E) AND CIS (Z) ISOMERS CONTAINING NOT LESS THAN 75\\% OF TRANS-PHYTOMENADIONE

C31H46O2 (450.3498)


Phylloquinone is a member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. It has a role as a cofactor, a plant metabolite and a human metabolite. It is a vitamin K and a member of phylloquinones. Vitamin K1, also called phylloquinone or phytonadione, is a fat soluble vitamin. Phylloquinone is a cofactor of the enzyme γ-carboxylase, which modifies and activates precursors to coagulation factors II, VII, IX, and X. It is indicated in the treatment of coagulation disorders due to faulty formation of coagulation factors II, VII, IX, and X caused by deficiency or interference in the activity of vitamin K. Phylloquinone has been synthesized since at least 1939, and was approved by the FDA prior to 1955. Vitamin K1 is a natural product found in Coffea arabica, Stachys annua, and other organisms with data available. Phytonadione is an analogue of the naphthoquinone vitamin K found in plants. The vitamins K are essential for blood coagulation as it is necessary for the hepatic synthesis of the coagulation factors II, VII, IX, and X; deficiency results in a bleeding diathesis. These vitamins are lipo-soluble; absorption via intestinal lymphatics requires the presence of bile salts. (NCI04) Phylloquinone is often called vitamin K1. It is a fat-soluble vitamin that is stable to air and moisture but decomposes in sunlight. It is found naturally in a wide variety of green plants. Phylloquinone is also an antidote for coumatetralyl. Vitamin K is needed for the posttranslational modification of certain proteins, mostly required for blood coagulation. A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. See also: Broccoli (part of); Kale, cooked (part of); Cholecalciferol; phytonadione (component of) ... View More ... Vitamin K1, also known as phylloquinone or phytonadione, is a polycyclic aromatic ketone, based on 1,4-naphthoquinone, with 2-methyl and 3-phytyl substituents. Vitamin K is a family of phylloquinones that contain a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Several forms of vitamin K have been identified: vitamin K1 derived from plants, vitamin K2 (menaquinone) from bacteria and synthetic naphthoquinone provitamins, and vitamin K3 (menadione). Vitamin K1 has only one double bond on the proximal isoprene unit. Vitamin K1 possesses the same type and degree of activity as does naturally-occurring vitamin K, which is necessary for the production via the liver of active prothrombin (factor II), proconvertin (factor VII), plasma thromboplastin component (factor IX), and Stuart factor (factor X). Rich sources of vitamin K1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. Vitamin K1 is a fat-soluble vitamin that is stable to air and moisture but decomposes in sunlight. Vitamin K1 is an antidote for coumatetralyl. A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.

   

cis-Vitamin K1

2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dione

C31H46O2 (450.3498)


   

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 (450.3709)


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.

   

Epipachysamine D

Epipachysamine D

C30H46N2O (450.361)


   

Strongylodiol J

Strongylodiol J

C31H46O2 (450.3498)


   

Strongylodiol F

Strongylodiol F

C31H46O2 (450.3498)


   

N,N-(Hexane-1,6-diyl)bis(N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide)

N,N-(Hexane-1,6-diyl)bis(N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide)

C26H50N4O2 (450.3934)


   

SCHEMBL7986742

SCHEMBL7986742

C24H50O7 (450.3556)


   

(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 (450.3709)


   

Coscinoquinol

Coscinoquinol

C31H46O2 (450.3498)


   

(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 (450.3709)


   

(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 (450.3709)


   

Phylloquinone

Phylloquinone

C31H46O2 (450.3498)


   

SCHEMBL16226731

SCHEMBL16226731

C28H50O4 (450.3709)


   

plakinamine I

plakinamine I

C31H50N2 (450.3974)


   
   

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

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

C28H50O4 (450.3709)


   

24beta-Ethylcholesta-5,7,9(11),22E-tetraen-3beta-ol acetate

24beta-Ethylcholesta-5,7,9(11),22E-tetraen-3beta-ol acetate

C31H46O2 (450.3498)


   

sarcoaldesterol B

sarcoaldesterol B

C28H50O4 (450.3709)


   

20-(N-methylamino)-3beta-(N-methylbenzamido)-5alpha-pregnane|hookerianamide I

20-(N-methylamino)-3beta-(N-methylbenzamido)-5alpha-pregnane|hookerianamide I

C30H46N2O (450.361)


   

Haliclamine B

Haliclamine B

C31H50N2 (450.3974)


   

6-hydroxyteasterone

6-hydroxyteasterone

C28H50O4 (450.3709)


   

Vitamin K1

Phylloquinone

C31H46O2 (450.3498)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.858 Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.

   

Nuciferoate

11-oxo-14-nonacosenoic acid

C29H54O3 (450.4073)


   

ST 28:0;O4

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

C28H50O4 (450.3709)


   

Bis(8-methylnonyl) 1,2-(2H4)benzenedicarboxylate

Bis(8-methylnonyl) 1,2-(2H4)benzenedicarboxylate

C28H42D4O4 (450.3647)


   

Chloro(methyl)octadecyl(3-phenylpropyl)silane

Chloro(methyl)octadecyl(3-phenylpropyl)silane

C28H51ClSi (450.3448)


   

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

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

C28H50O4 (450.3709)


   

1,4-Bis(dicyclohexylphosphino)butane

1,4-Bis(dicyclohexylphosphino)butane

C28H52P2 (450.3544)


   

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

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

C28H50O4 (450.3709)


   

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

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

C28H50O4 (450.3709)


   

hexaethyleneglycol monododecyl ether

hexaethyleneglycol monododecyl ether

C24H50O7 (450.3556)


   

hookerianamide I

hookerianamide I

C30H46N2O (450.361)


A steroid alkaloid that is 5alpha-pregnane substituted by a N-methylamino group at position 20 and a beta-N-methylbenzamido group at position 3. Isolated from Sarcococca hookeriana, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase.

   

6alpha-Hydroxyteasterone

6alpha-Hydroxyteasterone

C28H50O4 (450.3709)


   

6alpha-Hydroxytyphasterol

6alpha-Hydroxytyphasterol

C28H50O4 (450.3709)


   

3-epi-6-Deoxocastasterone

3-epi-6-Deoxocastasterone

C28H50O4 (450.3709)


   

[3-carboxy-2-[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium

C27H48NO4+ (450.3583)


   

[3-carboxy-2-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium

C27H48NO4+ (450.3583)


   

[3-carboxy-2-[(11Z,14E,17E)-icosa-11,14,17-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(11Z,14E,17E)-icosa-11,14,17-trienoyl]oxypropyl]-trimethylazanium

C27H48NO4+ (450.3583)


   

Coscinoquinol, (rel)-

Coscinoquinol, (rel)-

C31H46O2 (450.3498)


A natural product found in Coscinoderma species.

   

2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol

2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol

C31H46O2 (450.3498)


A natural product found in Coscinoderma species.

   

[3-carboxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium

C27H48NO4+ (450.3583)


   

dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium

dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium

C22H48N3O6+3 (450.3543)


   

[3-carboxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium

C27H48NO4+ (450.3583)


   

[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 (450.3709)


   

(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 (450.3709)


   

[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 (450.3709)


   

[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 (450.3709)


   

[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 (450.3709)


   

Fahfa 6:0/22:2

Fahfa 6:0/22:2

C28H50O4 (450.3709)


   

Fahfa 9:0/19:2

Fahfa 9:0/19:2

C28H50O4 (450.3709)


   

Fahfa 21:2/7:0

Fahfa 21:2/7:0

C28H50O4 (450.3709)


   

Fahfa 7:0/21:2

Fahfa 7:0/21:2

C28H50O4 (450.3709)


   

Fahfa 22:2/6:0

Fahfa 22:2/6:0

C28H50O4 (450.3709)


   

Fahfa 24:2/4:0

Fahfa 24:2/4:0

C28H50O4 (450.3709)


   

Fahfa 20:2/8:0

Fahfa 20:2/8:0

C28H50O4 (450.3709)


   

Fahfa 8:0/20:2

Fahfa 8:0/20:2

C28H50O4 (450.3709)


   

Fahfa 4:0/24:2

Fahfa 4:0/24:2

C28H50O4 (450.3709)


   

Fahfa 19:2/9:0

Fahfa 19:2/9:0

C28H50O4 (450.3709)


   

Fahfa 2:0/26:2

Fahfa 2:0/26:2

C28H50O4 (450.3709)


   

Fahfa 12:0/16:2

Fahfa 12:0/16:2

C28H50O4 (450.3709)


   

Fahfa 10:0/18:2

Fahfa 10:0/18:2

C28H50O4 (450.3709)


   

Fahfa 18:2/10:0

Fahfa 18:2/10:0

C28H50O4 (450.3709)


   

Fahfa 14:1/14:1

Fahfa 14:1/14:1

C28H50O4 (450.3709)


   

Fahfa 17:2/11:0

Fahfa 17:2/11:0

C28H50O4 (450.3709)


   

Fahfa 16:2/12:0

Fahfa 16:2/12:0

C28H50O4 (450.3709)


   

Fahfa 13:1/15:1

Fahfa 13:1/15:1

C28H50O4 (450.3709)


   

Fahfa 15:1/13:1

Fahfa 15:1/13:1

C28H50O4 (450.3709)


   

Fahfa 11:0/17:2

Fahfa 11:0/17:2

C28H50O4 (450.3709)


   

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

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

C28H50O4 (450.3709)


   

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

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

C28H50O4 (450.3709)


   

2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione

2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione

C31H46O2 (450.3498)


   

Hydroxynonacosadienoic acid

Hydroxynonacosadienoic acid

C29H54O3 (450.4073)


   

NA-Arg 20:2(11Z,14Z)

NA-Arg 20:2(11Z,14Z)

C25H46N4O3 (450.357)


   

NA-Asn 22:2(13Z,16Z)

NA-Asn 22:2(13Z,16Z)

C26H46N2O4 (450.3457)


   

NA-Orn 22:2(13Z,16Z)

NA-Orn 22:2(13Z,16Z)

C27H50N2O3 (450.3821)


   

NA-Tryptamine 20:2(11Z,14Z)

NA-Tryptamine 20:2(11Z,14Z)

C30H46N2O (450.361)


   

FAHFA 10:0/O-18:2

FAHFA 10:0/O-18:2

C28H50O4 (450.3709)


   

FAHFA 10:1/O-18:1

FAHFA 10:1/O-18:1

C28H50O4 (450.3709)


   

FAHFA 10:2/O-18:0

FAHFA 10:2/O-18:0

C28H50O4 (450.3709)


   

FAHFA 11:0/O-17:2

FAHFA 11:0/O-17:2

C28H50O4 (450.3709)


   

FAHFA 11:1/O-17:1

FAHFA 11:1/O-17:1

C28H50O4 (450.3709)


   

FAHFA 11:2/O-17:0

FAHFA 11:2/O-17:0

C28H50O4 (450.3709)


   

FAHFA 12:0/O-16:2

FAHFA 12:0/O-16:2

C28H50O4 (450.3709)


   

FAHFA 12:1/O-16:1

FAHFA 12:1/O-16:1

C28H50O4 (450.3709)


   

FAHFA 12:2/O-16:0

FAHFA 12:2/O-16:0

C28H50O4 (450.3709)


   

FAHFA 13:0/O-15:2

FAHFA 13:0/O-15:2

C28H50O4 (450.3709)


   

FAHFA 13:1/O-15:1

FAHFA 13:1/O-15:1

C28H50O4 (450.3709)


   

FAHFA 13:2/O-15:0

FAHFA 13:2/O-15:0

C28H50O4 (450.3709)


   

FAHFA 14:0/O-14:2

FAHFA 14:0/O-14:2

C28H50O4 (450.3709)


   

FAHFA 14:1/O-14:1

FAHFA 14:1/O-14:1

C28H50O4 (450.3709)


   

FAHFA 14:2/O-14:0

FAHFA 14:2/O-14:0

C28H50O4 (450.3709)


   

FAHFA 15:0/O-13:2

FAHFA 15:0/O-13:2

C28H50O4 (450.3709)


   

FAHFA 15:1/O-13:1

FAHFA 15:1/O-13:1

C28H50O4 (450.3709)


   

FAHFA 15:2/O-13:0

FAHFA 15:2/O-13:0

C28H50O4 (450.3709)


   

FAHFA 16:0/O-12:2

FAHFA 16:0/O-12:2

C28H50O4 (450.3709)


   

FAHFA 16:1/O-12:1

FAHFA 16:1/O-12:1

C28H50O4 (450.3709)


   

FAHFA 16:2/O-12:0

FAHFA 16:2/O-12:0

C28H50O4 (450.3709)


   

FAHFA 17:0/O-11:2

FAHFA 17:0/O-11:2

C28H50O4 (450.3709)


   

FAHFA 17:1/O-11:1

FAHFA 17:1/O-11:1

C28H50O4 (450.3709)


   

FAHFA 17:2/O-11:0

FAHFA 17:2/O-11:0

C28H50O4 (450.3709)


   

FAHFA 18:0/O-10:2

FAHFA 18:0/O-10:2

C28H50O4 (450.3709)


   

FAHFA 18:1/O-10:1

FAHFA 18:1/O-10:1

C28H50O4 (450.3709)


   

FAHFA 18:2(9Z,12Z)/3O-10:0

FAHFA 18:2(9Z,12Z)/3O-10:0

C28H50O4 (450.3709)


   

FAHFA 18:2/O-10:0

FAHFA 18:2/O-10:0

C28H50O4 (450.3709)


   

FAHFA 19:0/O-9:2

FAHFA 19:0/O-9:2

C28H50O4 (450.3709)


   

FAHFA 19:1/O-9:1

FAHFA 19:1/O-9:1

C28H50O4 (450.3709)


   

FAHFA 19:2(10Z,13Z)/3O-9:0

FAHFA 19:2(10Z,13Z)/3O-9:0

C28H50O4 (450.3709)


   

FAHFA 19:2/O-9:0

FAHFA 19:2/O-9:0

C28H50O4 (450.3709)


   

FAHFA 20:0/O-8:2

FAHFA 20:0/O-8:2

C28H50O4 (450.3709)


   

FAHFA 20:1/O-8:1

FAHFA 20:1/O-8:1

C28H50O4 (450.3709)


   

FAHFA 20:2(11Z,14Z)/3O-8:0

FAHFA 20:2(11Z,14Z)/3O-8:0

C28H50O4 (450.3709)


   

FAHFA 20:2/O-8:0

FAHFA 20:2/O-8:0

C28H50O4 (450.3709)


   

FAHFA 22:2(13Z,16Z)/3O-6:0

FAHFA 22:2(13Z,16Z)/3O-6:0

C28H50O4 (450.3709)


   

FAHFA 28:2;O

FAHFA 28:2;O

C28H50O4 (450.3709)


   

FAHFA 8:0/O-20:2

FAHFA 8:0/O-20:2

C28H50O4 (450.3709)


   

FAHFA 8:1/O-20:1

FAHFA 8:1/O-20:1

C28H50O4 (450.3709)


   

FAHFA 8:2/O-20:0

FAHFA 8:2/O-20:0

C28H50O4 (450.3709)


   

FAHFA 9:0/O-19:2

FAHFA 9:0/O-19:2

C28H50O4 (450.3709)


   

FAHFA 9:1/O-19:1

FAHFA 9:1/O-19:1

C28H50O4 (450.3709)


   

FAHFA 9:2/O-19:0

FAHFA 9:2/O-19:0

C28H50O4 (450.3709)


   

Deoxocastasterone

Deoxocastasterone

C28H50O4 (450.3709)


   

(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 (450.3709)


   

(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 (450.3709)


   

n-{9a,11a-dimethyl-1-[1-(methylamino)ethyl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}-n-methylbenzamide

n-{9a,11a-dimethyl-1-[1-(methylamino)ethyl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}-n-methylbenzamide

C30H46N2O (450.361)


   

(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 (450.3709)


   

(6r,7e,16z,28z)-hentriaconta-7,16,28-trien-2,4,30-triyne-1,6-diol

(6r,7e,16z,28z)-hentriaconta-7,16,28-trien-2,4,30-triyne-1,6-diol

C31H46O2 (450.3498)


   

(1r,5s,7r,10s,11s,14s,15r,16r,18r,23s)-n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

(1r,5s,7r,10s,11s,14s,15r,16r,18r,23s)-n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

C31H50N2 (450.3974)


   

(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 (450.3709)


   

(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 (450.3709)


   

(1s,3as,3br,5as,7s,9as,9bs,11as)-n-benzyl-1-[(1s)-1-(dimethylamino)ethyl]-n,9a,11a-trimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-amine

(1s,3as,3br,5as,7s,9as,9bs,11as)-n-benzyl-1-[(1s)-1-(dimethylamino)ethyl]-n,9a,11a-trimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-amine

C31H50N2 (450.3974)


   

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

NA

C28H50O4 (450.3709)


{"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 (450.3709)


{"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 (450.3709)


   

(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 (450.3709)


   

(6r,28z)-hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol

(6r,28z)-hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol

C31H46O2 (450.3498)


   

(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5r)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5r)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

C31H46O2 (450.3498)


   

(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 (450.3709)


   

(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 (450.3709)


   

n-[(1s,3as,3br,5ar,7s,9as,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

n-[(1s,3as,3br,5ar,7s,9as,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

C30H46N2O (450.361)


   

n-[(7s,9as,11as)-1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

n-[(7s,9as,11as)-1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

C30H46N2O (450.361)


   

n-{1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}benzenecarboximidic acid

n-{1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}benzenecarboximidic acid

C30H46N2O (450.361)


   

(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 (450.3709)


   

(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 (450.3709)


   

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 (450.3709)


   

2,3,5,6-tetrakis(3-methylbut-2-en-1-yl)-4-[(3-methylbut-2-en-1-yl)oxy]phenol

2,3,5,6-tetrakis(3-methylbut-2-en-1-yl)-4-[(3-methylbut-2-en-1-yl)oxy]phenol

C31H46O2 (450.3498)


   

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 (450.3709)


   

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 (450.3709)


   

(1r,5s,7r,10s,11r,14s,15r,16r,18r,23s)-n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

(1r,5s,7r,10s,11r,14s,15r,16r,18r,23s)-n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

C31H50N2 (450.3974)


   

2-[(2e,7e)-9-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethylnona-2,7-dien-1-yl]benzene-1,4-diol

2-[(2e,7e)-9-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethylnona-2,7-dien-1-yl]benzene-1,4-diol

C31H46O2 (450.3498)


   

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 (450.3709)


   

methyl (22e)-19-oxooctacos-22-enoate

methyl (22e)-19-oxooctacos-22-enoate

C29H54O3 (450.4073)


   

2-methyl-3-(3,7,10,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione

2-methyl-3-(3,7,10,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione

C31H46O2 (450.3498)


   

2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl)-3,4-dihydro-1-benzopyran-6-ol

2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl)-3,4-dihydro-1-benzopyran-6-ol

C31H46O2 (450.3498)


   

n-[(1s,3as,3br,5as,7s,9as,9bs,11as)-9a,11a-dimethyl-1-[(1r)-1-(methylamino)ethyl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-n-methylbenzamide

n-[(1s,3as,3br,5as,7s,9as,9bs,11as)-9a,11a-dimethyl-1-[(1r)-1-(methylamino)ethyl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]-n-methylbenzamide

C30H46N2O (450.361)


   

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 (450.3709)


   

n-[(1s,3as,3br,5as,7s,9as,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

n-[(1s,3as,3br,5as,7s,9as,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

C30H46N2O (450.361)


   

n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine

C31H50N2 (450.3974)


   

(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 (450.3709)


   

2-[(2e)-9-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethylnona-2,7-dien-1-yl]benzene-1,4-diol

2-[(2e)-9-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethylnona-2,7-dien-1-yl]benzene-1,4-diol

C31H46O2 (450.3498)


   

(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 (450.3709)


   

(2s)-2-methyl-2-[(3e,7e,11e)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl]-3,4-dihydro-1-benzopyran-6-ol

(2s)-2-methyl-2-[(3e,7e,11e)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl]-3,4-dihydro-1-benzopyran-6-ol

C31H46O2 (450.3498)


   

2-methyl-3-[(2e,7r,10s)-3,7,10,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione

2-methyl-3-[(2e,7r,10s)-3,7,10,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione

C31H46O2 (450.3498)


   

(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 (450.3709)


   

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 (450.3709)


   

methyl 19-oxooctacos-22-enoate

methyl 19-oxooctacos-22-enoate

C29H54O3 (450.4073)


   

1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

C31H46O2 (450.3498)