Exact Mass: 444.302814
Exact Mass Matches: 444.302814
Found 500 metabolites which its exact mass value is equals to given mass value 444.302814,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Menatetrenone
Menatetrenone, also known as MK-4, is a vitamin K compound used as a hemostatic agent, and also as adjunctive therapy for the pain of osteoporosis. Menatetrenone is one of the nine forms of vitamin K2 and is a short-chain menaquinone. MK-4 is produced via conversion of vitamin K1 in the body, in the testes, pancreas and arterial walls (Wikipedia). Vitamin K2 is found in brassicas. Vitamin K2 is widely distributed in green leaves and vegetables. It is a fat-soluble dietary factor effective in controlling blood coagulation. All members of the vitamin K group of vitamins share a methylated naphthoquinone ring structure and vary in the aliphatic side chain attached at the 3-position. Phylloquinone (also known as vitamin K1) invariably contains in its side chain four isoprenoid residues, one of which is unsaturated. Human milk contains between 1 and 4 micrograms/litre of vitamin K1, while formula-derived milk can contain up to 100 micrograms/litre in supplemented formulas. Vitamin K2 concentrations in human milk appear to be much lower than those of vitamin K1. It is estimated that there is a 0.25 to 1.7 percent occurrence of vitamin K deficiency bleeding in the first week of the infants life with a prevalence of 2-10 cases per 100,000 births. The biochemistry of how vitamin K is used to convert glutamic acid (Glu) to gamma-carboxyglutamic acid (Gla) has been elucidated over the past thirty years in academic laboratories throughout the world. Within the cell, vitamin K undergoes electron reduction to a reduced form of vitamin K (called vitamin K hydroquinone) by the enzyme vitamin K epoxide reductase (or VKOR). Another enzyme then oxidizes vitamin K hydroquinone to allow carboxylation of Glu to Gla; this enzyme is called the gamma-glutamyl carboxylase or the vitamin K-dependent carboxylase. The carboxylation reaction will only proceed if the carboxylase enzyme is able to oxidize vitamin K hydroquinone to vitamin K epoxide at the same time. The carboxylation and epoxidation reactions are said to be coupled reactions. Vitamin K epoxide is then re-converted into vitamin K by the vitamin K epoxide reductase. These two enzymes comprise the so-called vitamin K cycle. Vitamin K2 is one of the reasons why vitamin K is rarely deficient in a human diet (vitamin K is continually recycled in our cells). Vitamin K1 is also known as phylloquinone or phytomenadione (also called phytonadione). Vitamin K2 (menaquinone, menatetrenone) is normally produced by bacteria in the large intestine, and dietary deficiency is extremely rare unless the intestines are heavily damaged or are unable to absorb the molecule, or due to decreased production by normal flora, as seen in broad spectrum antibiotic use. Menaquinone-4 is a menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. It has a role as a bone density conservation agent, a human metabolite, an antioxidant, an anti-inflammatory agent and a neuroprotective agent. Menatetrenone has been used in trials studying the treatment of Diabetes, Osteoporosis, Prediabetic State, and Hepatocellular Carcinoma. Menatetrenone is a menaquinone compound and form of vitamin K2 with potential antineoplastic activity. Menatetrenone may act by modulating the signalling of certain tyrosine kinases, thereby affecting several transcription factors including c-myc and c-fos. This agent inhibits tumor cell growth by inducing apoptosis and cell cycle arrest. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization Inhibits bone resorption via PGE2 synthesis inhibition and other mechanisms. Antihaemorrhagic vitamin [CCD] A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics Menaquinone-4 is a vitamin K, used as a hemostatic agent, and also a adjunctive therapy for the pain of osteoporosis.
(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol
(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol is found in mushrooms. (3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol is a constituent of Tricholoma matsutake (matsutake) and Lepista nuda (wood blewit). Constituent of Tricholoma matsutake (matsutake) and Lepista nuda (wood blewit). (3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol is found in mushrooms.
(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol
(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol is found in mushrooms. (3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol is a constituent of Lentinus edodes (shiitake) Constituent of Lentinus edodes (shiitake). (3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol is found in mushrooms.
5,9-Epidioxy-3-hydroxyergost-7-en-6-one
5,9-Epidioxy-3-hydroxyergost-7-en-6-one is found in mushrooms. 5,9-Epidioxy-3-hydroxyergost-7-en-6-one is a constituent of Hypsizygus marmoreus (bunashimeji) Constituent of Hypsizygus marmoreus (bunashimeji). 5,9-Epidioxy-3-hydroxyergost-7-en-6-one is found in mushrooms.
1,25-Dihydroxyvitamin D3-26,23-lactone
1,25-Dihydroxyvitamin D3-26,23-lactone (1,25(OH)2D3-26,23-lactone) is a vitamin D3 metabolite. The formation of 1,25(OH)2D3-26,23-lactone occurs in normocalcemic states and in situations in which 1,25(OH)2D3 has been administered. (PMID: 6324253). 1,25-dihydroxyvitamin D3 and (23S)-1,23,25-trihydroxyvitamin D3 are efficient precursors to 1,25(OH)2D3-26,23-lactone. 1,25(OH)2D3-26,23-lactone has an inhibitory action of bone resorption and the lactone ring plays a major part in its expression. (PMID: 6548386, 1666030). 1,25-Dihydroxyvitamin D3-26,23-lactone (1,25(OH)2D3-26,23-lactone) is a vitamin D3 metabolite. The formation of 1,25(OH)2D3-26,23-lactone occurs in normocalcemic states and in situations in which 1,25(OH)2D3 has been administered. (PMID: 6324253) D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
1-a,24R,25-Trihydroxyvitamin D2
1-alpha,24R,25-Trihydroxyvitamin D2 is a metabolite of vitamin D2 produced in vitro by perfusing isolated rat kidneys with 1,25-dihydroxyvitamin D2. It has been well established that 1,25-dihydroxyvitamin D3 is converted into various further metabolites in the kidney as a result of chemical reactions such as C-23, C-24, and C-26 hydroxylations, C-24 ketonization, and C-23:C-26 lactonization. (PMID: 3490274). D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
Stearyl citrate
Stearyl citrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol
5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol is found in mushrooms. 5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol is isolated from Hypsizygus marmoreus (bunashimeji).
2-Stearyl citrate
Antioxidant, sequestrant and emulsifier for use in margarine. Plasticiser for food contact packaging. Antioxidant, sequestrant and emulsifier for use in margarine. Plasticiser for food contact packaging
17-hydroxyprogesterone caproate
Calcitriol lactone
Proliferin
vitamin K2
[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate
12-epi-Scalarin
The 12-epimer of scalarin, a metabolite of marine sponges of the genus Spongia.
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0<2,10>.0<4,9 >.0<14,19>]henicos-17-yl acetate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.480 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.475 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.479 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.476
methyl 3alpha-hydroxy-25,26,27-trinor-24-oxotirucall-8-en-21-oate
(1S,3R,5Z,7E,22E,24R)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25-tetrol
12-O-acetyl-16-O-deacetyl-12,16-episcalarolbutenolide|12alpha-acetoxy-16beta-hydroxyscalarolbutenolide
3beta.27-Dihydroxy-25betaFH-cholesten-(5)-trion-(12.16.22)|3beta.27-dihydroxy-25betaFH-cholestene-(5)-trione-(12.16.22)
12-deacetoxy-23-acetoxy-19-O-acetylscalarin|12-deacetoxy-23-acetoxyscalarin
(25R)-2alpha,3beta-Dihydroxy-5alpha-spirost-9(11)-en-12-on|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9(11)-en-12-one|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9-en-12-one|9(11)-Dehydromanogenin|9-dehydromanogenin
(22S,24S)-24-methyl-22,25-epoxyfurost-5-ene-3beta,20beta-diol
(3beta,12beta,13beta)-3,12-dihydroxyursane-28,13beta-lactone
(25S)-17alpha,25-dihydroxyspirost-4-en-3-one|diosbulbisin B
1,2-Dihydro-(16beta,22E)-16,18,20-Trihydroxy-24-methylcholesta-1,4,22-trien-3-one
25-nor-12alpha-acetoxy-20,24-dimethyl-24-oxoscalar-16-en-18beta-ol
(6R*)-3,5-dihydroxy-4-<<(1S*,2R*,5R*)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl>methyl>-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|(6R*)-3,5-dihydroxy-4-{[(1S*,2R*,5R*)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl]methyl}-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
(10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
3beta,9alpha-dihydroxycholest-7-en-24-methyl-6,23-dione|grandol E
3beta,5alpha,14alpha-trihydroxy-(22E,24R)-ergosta-7, 22-dien-6-one|3beta,5alpha,14alpha-trihydroxy-ergosta-7,22-dien-6-one
(22E,24R)-3beta,5alpha,6beta,14alpha-tetrahydroxyergosta-7,9(11),22-triene|fomentarol A
3alpha-acetyloxy-4alpha,14alpha-dimethyl-9beta,19-cycloergost-24-oic acid
1-Acetoxy-3-methylene-6a,9,9,12a,14-pentamethyl-8-hydroxy-4,5-butano-2,3,4,5,6a,7,8,8a,9,10,11,12,12a,12b-tetradecahydro-1H-naphtho[2,1-b]oxocin-13-ene-15-one
17beta,20beta-epoxyergosta-5,24(28)-diene-3beta,16beta,22alpha-triol
(22E,24S)-5alpha,8alpha-epidioxy-24-methyl-cholesta-6,22-dien-3beta-ol
12(R)-(beta-D-glucopyranosyloxy)octadecanoic acid 1,2-cyclic ester|gallicaside H
(22S,25S)-17alpha,26-dihydroxy-22,25-epoxyfurost-4-en-3-one|diosbulbisin C
(12alpha,16beta)-12-acetoxy-16-hydroxy-20,24-dimethyl-25-norscalar-17-en-24-one
(20S,22E)-24-methylcholesta-1,22-diene-16beta,18,20-triol-3-one
16beta-acetoxy-20,24-dimethyl-12,24-dioxo-25-norscalarane
16-(2,5-dihydroxy-3-methylphenyl)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10-trienoic acid
18R-acetoxy-20-hydroxy-2,10,19(21)-cladocoratrien-22(20)-olide|cladocoran A
24-methylene-1alpha,3beta,11alpha-trihydroxycholest-5-en-18-al
Scalarin
A scalarane sesterterpenoid lactone, a metabolite of marine sponges of the family Thorectidae (order dictyoceratida).
C27H40O5_(2alpha,3beta,5alpha,8xi,14xi,25S)-2,3-Dihydroxyspirost-9(11)-en-12-one
Ala Lys Lys Val
C20H40N6O5 (444.30600300000003)
Ala Lys Val Lys
C20H40N6O5 (444.30600300000003)
Ala Val Lys Lys
C20H40N6O5 (444.30600300000003)
Gly Ile Lys Lys
C20H40N6O5 (444.30600300000003)
Gly Lys Ile Lys
C20H40N6O5 (444.30600300000003)
Gly Lys Lys Ile
C20H40N6O5 (444.30600300000003)
Gly Lys Lys Leu
C20H40N6O5 (444.30600300000003)
Gly Lys Leu Lys
C20H40N6O5 (444.30600300000003)
Gly Leu Lys Lys
C20H40N6O5 (444.30600300000003)
Ile Gly Lys Lys
C20H40N6O5 (444.30600300000003)
Ile Ile Ile Ser
Ile Ile Leu Ser
Ile Ile Ser Ile
Ile Ile Ser Leu
Ile Ile Thr Val
Ile Ile Val Thr
Ile Lys Gly Lys
C20H40N6O5 (444.30600300000003)
Ile Lys Lys Gly
C20H40N6O5 (444.30600300000003)
Ile Leu Ile Ser
Ile Leu Leu Ser
Ile Leu Ser Ile
Ile Leu Ser Leu
Ile Leu Thr Val
Ile Leu Val Thr
Ile Ser Ile Ile
Ile Ser Ile Leu
Ile Ser Leu Ile
Ile Ser Leu Leu
Ile Thr Ile Val
Ile Thr Leu Val
Ile Thr Val Ile
Ile Thr Val Leu
Ile Val Ile Thr
Ile Val Leu Thr
Ile Val Thr Ile
Ile Val Thr Leu
Lys Ala Lys Val
C20H40N6O5 (444.30600300000003)
Lys Ala Val Lys
C20H40N6O5 (444.30600300000003)
Lys Gly Ile Lys
C20H40N6O5 (444.30600300000003)
Lys Gly Lys Ile
C20H40N6O5 (444.30600300000003)
Lys Gly Lys Leu
C20H40N6O5 (444.30600300000003)
Lys Gly Leu Lys
C20H40N6O5 (444.30600300000003)
Lys Ile Gly Lys
C20H40N6O5 (444.30600300000003)
Lys Ile Lys Gly
C20H40N6O5 (444.30600300000003)
Lys Lys Ala Val
C20H40N6O5 (444.30600300000003)
Lys Lys Gly Ile
C20H40N6O5 (444.30600300000003)
Lys Lys Gly Leu
C20H40N6O5 (444.30600300000003)
Lys Lys Ile Gly
C20H40N6O5 (444.30600300000003)
Lys Lys Leu Gly
C20H40N6O5 (444.30600300000003)
Lys Lys Val Ala
C20H40N6O5 (444.30600300000003)
Lys Leu Gly Lys
C20H40N6O5 (444.30600300000003)
Lys Leu Lys Gly
C20H40N6O5 (444.30600300000003)
Lys Val Ala Lys
C20H40N6O5 (444.30600300000003)
Lys Val Lys Ala
C20H40N6O5 (444.30600300000003)
Leu Gly Lys Lys
C20H40N6O5 (444.30600300000003)
Leu Ile Ile Ser
Leu Ile Leu Ser
Leu Ile Ser Ile
Leu Ile Ser Leu
Leu Ile Thr Val
Leu Ile Val Thr
Leu Lys Gly Lys
C20H40N6O5 (444.30600300000003)
Leu Lys Lys Gly
C20H40N6O5 (444.30600300000003)
Leu Leu Ile Ser
Leu Leu Leu Ser
Leu Leu Ser Ile
Leu Leu Ser Leu
Leu Leu Thr Val
Leu Leu Val Thr
Leu Ser Ile Ile
Leu Ser Ile Leu
Leu Ser Leu Ile
Leu Ser Leu Leu
Leu Thr Ile Val
Leu Thr Leu Val
Leu Thr Val Ile
Leu Thr Val Leu
Leu Val Ile Thr
Leu Val Leu Thr
Leu Val Thr Ile
Leu Val Thr Leu
Ser Ile Ile Ile
Ser Ile Ile Leu
Ser Ile Leu Ile
Ser Ile Leu Leu
Ser Leu Ile Ile
Ser Leu Ile Leu
Ser Leu Leu Ile
Ser Leu Leu Leu
Thr Ile Ile Val
Thr Ile Leu Val
Thr Ile Val Ile
Thr Ile Val Leu
Thr Leu Ile Val
Thr Leu Leu Val
Thr Leu Val Ile
Thr Leu Val Leu
Thr Val Ile Ile
Thr Val Ile Leu
Thr Val Leu Ile
Thr Val Leu Leu
Val Ala Lys Lys
C20H40N6O5 (444.30600300000003)
Val Ile Ile Thr
Val Ile Leu Thr
Val Ile Thr Ile
Val Ile Thr Leu
Val Lys Ala Lys
C20H40N6O5 (444.30600300000003)
Val Lys Lys Ala
C20H40N6O5 (444.30600300000003)
Val Leu Ile Thr
Val Leu Leu Thr
Val Leu Thr Ile
Val Leu Thr Leu
Val Thr Ile Ile
Val Thr Ile Leu
Val Thr Leu Ile
Val Thr Leu Leu
(24R)-1α,24,25-trihydroxyvitamin D2 / (24R)-1α,24,25-trihydroxyergocalciferol
(25S)-1α,25,26-trihydroxyvitamin D2 / (25S)-1α,25,26-trihydroxyergocalciferol
1α,25,28-trihydroxyvitamin D2 / 1α,25,28-trihydroxyergocalciferol
(23S,25R)-25-hydroxyvitamin D3 26,23-peroxylactone / (23S,25R)-25-hydroxycholecalciferol 26,23-peroxylactone
(5Z,7E)-(1S,3R,23R,25R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone
(5Z,7E)-(1S,3R,23S,25R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone
(5Z,7E)-(1S,3R,23R,25S)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone
(5Z,7E)-(1S,3R,23S,25S)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone
1-a,24R,25-Trihydroxyvitamin D2
5,9-Epidioxy-3-hydroxyergost-7-en-6-one
(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol
5,6:8,9-Diepoxyergost-22-ene-3,7-diol
5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
(24R)-1alpha,24,25-trihydroxyvitamin D2
(25S)-1alpha,25,26-trihydroxyvitamin D2
1alpha,25,28-trihydroxyvitamin D2 / 1alpha,25,28-trihydroxyergocalciferol
(23S,25R)-25-hydroxyvitamin D3 26,23-peroxylactone
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone
(23S,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23S,25R)-1alpha,25-dihydroxycholecalciferol 26,23-lactone
(23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R,25S)-1alpha,25-dihydroxycholecalciferol 26,23-lactone
(23S,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23S,25S)-1alpha,25-dihydroxycholecalciferol 26,23-lactone
12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide
A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus that exhibits antineoplastic activity.
4-tert-butylphenol,formaldehyde,4-nonylphenol,oxirane
2-(1-(4-(2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)propan- 2-yl)phenethyl)piperidin-4-yl)-1H-benzo[d]imidazole
2-[2-(Boc-amino)ethoxy]ethoxyacetic acid (dicyclohexylammonium) salt
menaquinone
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics Menaquinone-4 is a vitamin K, used as a hemostatic agent, and also a adjunctive therapy for the pain of osteoporosis.
(3R,5S)-5-[(2R)-2-[(1R,3AR,4E,7AR)-4-[(2Z)-2-[(3S,5S)-3,5-Dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7A-methyl-2,3,3A,5,6,7-hexahydro-1H-inden-1-YL]propyl]-3-hydroxy-3-methyl-oxolan-2-one
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(17-acetyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-1-yl) hexanoate
[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate
2-[(3Z,7E,12Z)-11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenyl]propyl acetate
12-epi-19-O-methyldeoxoscalarin
A scalarane sesterterpenoid that is 12-epi-deoxoscalarin in which the hydroxy group at position 19 is replaced by a methoxy group. It has been isolated from the sponge,Hyattella species.
(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
(1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
12-Deacetoxy-21-acetoxyscalarin
A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus that exhibits antineoplastic activity.
(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1S)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1S)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1S)-1-[(2S,5S)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
18-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctadecanoic acid
(17R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctadecanoic acid
[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-hydroxypropan-2-yl] propanoate
[3-carboxy-2-[(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoyl]oxypropyl]-trimethylazanium
C27H42NO4+ (444.31136720000006)
(1-acetyloxy-3-hydroxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1,25-Dihydroxyvitamin D3-26,23-lactone
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
1,24,25-Trihydroxyergocalciferol
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
(22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3, 5 and 9 and an oxo group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
(4s,5as,5br,7as,11as,11br,13r,13as)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-3h,4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-4-yl acetate
(12r,13s)-7-(1-hydroxy-2,3-dimethylbutyl)-6,13-dimethylpentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-1,19-diene-12,16,18-triol
(1r,3as,3bs,5r,5ar,9ar,9bs,10r,11ar)-5,5a,10-trihydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
4',16'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-11'-one
(2r,3s,4s,4ar,17r,18ar)-17-hexyl-3,4-dihydroxy-2-(hydroxymethyl)-hexadecahydropyrano[2,3-b]1,4-dioxacyclohexadecan-6-one
3,5-dihydroxy-4-{[2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-6-methyl-6-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one
15-(5,6-dimethylhept-3-en-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one
(3s,4ar,5as,6r,8r,10br)-8-[(1r)-3-(2,3-dimethylbutyl)-2-methylcyclopentyl]-3,6-dihydroxy-8,10b-dimethyl-1h,2h,3h,4h,5ah,6h,9h,10h-phenanthro[9,8a-b]oxiren-7-one
(1s,2s,5s,7r,9s,10r,11r,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol
(2s)-2-[(3ar,13r,16as)-2,13-dihydroxy-3a,6,10,14-tetramethyl-3-oxo-4h,7h,8h,11h,12h,13h,16h,16ah-cyclopenta[15]annulen-1-yl]propyl acetate
4-hydroxy-3-{[2-(3-hydroxy-2-methylpropyl)-5a,9b-dimethyl-7-methylidene-octahydro-1h-naphtho[2,1-b]furan-6-yl]methyl}-5,6-dimethylpyran-2-one
(1r,2s,5s,7r,8s,11r,14r,15r,17r)-14-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-ene-5,7,8-triol
8-acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
8-(1-hydroxy-2,2,6-trimethylcyclohexyl)-6-methyl-2-[3-(5-oxo-2h-furan-3-yl)prop-2-en-1-ylidene]oct-5-en-1-yl acetate
4-hydroxy-3-{[3-(2-hydroxypropan-2-yl)-6a,10b-dimethyl-8-methylidene-decahydronaphtho[2,1-b]pyran-7-yl]methyl}-5,6-dimethylpyran-2-one
(1r,2s,4r,6s,9s,11s,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one
2,16-dimethyl-15-(6-methyl-5-methylidenehept-3-en-2-yl)-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecane-3,5,10-triol
15-(5,6-dimethylheptan-2-yl)-9,18-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.0²,⁸.0⁶,⁸.0¹²,¹⁶]octadec-4-en-3-one
(1s,2r,3r,4ar,5s,8as)-4a,5-dimethyl-2-{[(3e)-3-methylpent-3-enoyl]oxy}-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl (3e)-3-methylpent-3-enoate
5,5a,10-trihydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
(5as,5br,7ar,9s,11ar,11br,13r,13as)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-3h,4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-9-yl acetate
(1'r,2r,2's,4's,5s,7's,8's,9's,12's,13'r)-5,8'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-16'-one
(1'r,2r,2's,4's,5r,7's,8's,9'r,10'r,12's,13'r)-8',10'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-16'-one
1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-acetylpiperidin-2-yl]-7,8-dihydroxyoctyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
8-(5,6-dimethylhept-3-en-2-yl)-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-3-ene-2,16-diol
2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone
{"Ingredient_id": "HBIN006117","Ingredient_name": "2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone","Alias": "NA","Ingredient_formula": "C28H44O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-n-heptadecyl-5,7-dihydroxy-6,8-dimethyl chromone
{"Ingredient_id": "HBIN006118","Ingredient_name": "2-n-heptadecyl-5,7-dihydroxy-6,8-dimethyl chromone","Alias": "NA","Ingredient_formula": "C28H44O4","Ingredient_Smile": "NA","Ingredient_weight": "444.72","OB_score": "3.18383828","CAS_id": "NA","SymMap_id": "SMIT00901","TCMID_id": "NA","TCMSP_id": "MOL006576","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,26-dihydroxycholest-5-ene-12,16,22-trione
{"Ingredient_id": "HBIN007028","Ingredient_name": "3,26-dihydroxycholest-5-ene-12,16,22-trione","Alias": "NA","Ingredient_formula": "C27H40O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8400","PubChem_id": "NA","DrugBank_id": "NA"}
5α,9α-epidioxy-(22e)-ergosta-7,22-diene-3β,6α-diol
{"Ingredient_id": "HBIN011399","Ingredient_name": "5\u03b1,9\u03b1-epidioxy-(22e)-ergosta-7,22-diene-3\u03b2,6\u03b1-diol","Alias": "NA","Ingredient_formula": "C28H44O4","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1(CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6898","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α,9α-epidioxy-(22e)-ergosta-7,22-diene-3β,6β-diol
{"Ingredient_id": "HBIN011400","Ingredient_name": "5\u03b1,9\u03b1-epidioxy-(22e)-ergosta-7,22-diene-3\u03b2,6\u03b2-diol","Alias": "NA","Ingredient_formula": "C28H44O4","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1(CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bethogenin
{"Ingredient_id": "HBIN018362","Ingredient_name": "bethogenin","Alias": "NA","Ingredient_formula": "C28H44O4","Ingredient_Smile": "CC1CCC2(C(C3C4(CCC5C(C4CC3(O2)OC)CC=C6C5(CCC(C6)O)C)C)C)OC1","Ingredient_weight": "444.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2324","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12300105","DrugBank_id": "NA"}