Exact Mass: 428.3403
Exact Mass Matches: 428.3403
Found 500 metabolites which its exact mass value is equals to given mass value 428.3403,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nandrolone decanoate
Nandrolone decanoate is only found in individuals that have used or taken this drug. It is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S. Nandrolone is an androgen receptor agonist. The drug bound to the receptor complexes which allows it to enter the nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D050071 - Bone Density Conservation Agents
(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
Ergosterol peroxide
Ergosterol peroxide is found in fruits. Ergosterol peroxide is obtained from leaves of Ananas comosus (pineapple obtained from leaves of Ananas comosus (pineapple). Ergosterol peroxide is found in pineapple and fruits.
(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol
(3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is found in mushrooms. (3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). (3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is found in mushrooms.
3,5-Dihydroxyergosta-7,22-dien-6-one
3,5-Dihydroxyergosta-7,22-dien-6-one is found in mushrooms. 3,5-Dihydroxyergosta-7,22-dien-6-one is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). 3,5-Dihydroxyergosta-7,22-dien-6-one is found in mushrooms.
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol is found in mushrooms. (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol is a constituent of Ganoderma lucidum (reishi).
5,6-Epoxiergosta-8,22-diene-3,7-diol
5,6-Epoxiergosta-8,22-diene-3,7-diol is found in mushrooms. 5,6-Epoxiergosta-8,22-diene-3,7-diol is a constituent of Tricholoma portentosum Constituent of Tricholoma portentosum. 5,6-Epoxiergosta-8,22-diene-3,7-diol is found in mushrooms.
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is found in mushrooms. (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is a constituent of Grifola frondosa (maitake). Constituent of Grifola frondosa (maitake). (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is found in mushrooms.
4α-carboxy-5α-cholesta-8,24-dien-3β-ol
4α-carboxy-5α-cholesta-8,24-dien-3β-ol is considered to be practically insoluble (in water) and acidic. 4α-carboxy-5α-cholesta-8,24-dien-3β-ol is a sterol lipid molecule
Ercalcitriol
Ercalcitriol is the active circulating metabolite of vitamin D2. Vitamin D2 is modified by 25-hydroxylase in the liver and 25-hydroxyvitamin D *-hydroxylase in the kidney to form the active metabolite, ercalcitriol, which is then metabolized by 25-hydroxyvitamin D-24-hydroxylase (24-OHase, CYP24A1, EC 1.14.13.13). The binding of ercalcitriol or their analogs to Vitamin D receptor (VDR), a nuclear receptor, activates VDR to interact with retinoid X receptor (RXR) and forms the VDR/RXR/cofactor complex, which binds to Vitamin D response elements in the promoter region of target genes to regulate gene transcription. The kidney is the major site of 25-hydroxyvitamin D*-hydroxylase (CYP27B1, EC 1.14.13.13), which is responsible for the activation of 25-hydroxyvitamin D. Of all the steroid hormones, ercalcitriol represents the most difficult challenge to the analytical biochemist with respect to quantization. Ercalcitriol circulates at pmol concentrations, is highly lipophilic and its precursor, 25-hydroxyvitamin D2, circulates at nmol levels. (PMID: 16242929, 17867378, 17197173) [HMDB] Ercalcitriol is the active circulating metabolite of vitamin D2. Vitamin D2 is modified by 25-hydroxylase in the liver and 25-hydroxyvitamin D *-hydroxylase in the kidney to form the active metabolite, ercalcitriol, which is then metabolized by 25-hydroxyvitamin D-24-hydroxylase (24-OHase, CYP24A1, EC 1.14.13.13). The binding of ercalcitriol or their analogs to Vitamin D receptor (VDR), a nuclear receptor, activates VDR to interact with retinoid X receptor (RXR) and forms the VDR/RXR/cofactor complex, which binds to Vitamin D response elements in the promoter region of target genes to regulate gene transcription. The kidney is the major site of 25-hydroxyvitamin D*-hydroxylase (CYP27B1, EC 1.14.13.13), which is responsible for the activation of 25-hydroxyvitamin D. Of all the steroid hormones, ercalcitriol represents the most difficult challenge to the analytical biochemist with respect to quantization. Ercalcitriol circulates at pmol concentrations, is highly lipophilic and its precursor, 25-hydroxyvitamin D2, circulates at nmol levels. (PMID: 16242929, 17867378, 17197173). D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
3-(Acetyloxy)-2-hydroxypropyl icosanoate
3-(Acetyloxy)-2-hydroxypropyl icosanoate belongs to the family of Alk(en)ylacylglycerols. These are Diradyclycerols characterized by one alk(en)yl chain and an acyl chain bound to a glycerol backbone.
DG(8:0/14:0/0:0)
DG(8:0/14:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/14:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/14:0)
DG(8:0/0:0/14:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(8:0/i-14:0/0:0)
DG(8:0/i-14:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/i-14:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/i-14:0)
DG(8:0/0:0/i-14:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/12:0/0:0)
DG(10:0/12:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/12:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/12:0)
DG(10:0/0:0/12:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/i-12:0/0:0)
DG(10:0/i-12:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/i-12:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/i-12:0)
DG(10:0/0:0/i-12:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(12:0/10:0/0:0)
DG(12:0/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(12:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(12:0/0:0/10:0)
DG(12:0/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(i-12:0/10:0/0:0)
DG(i-12:0/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(i-12:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(i-12:0/0:0/10:0)
DG(i-12:0/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(14:0/8:0/0:0)
DG(14:0/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(14:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(14:0/0:0/8:0)
DG(14:0/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(i-14:0/8:0/0:0)
DG(i-14:0/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(i-14:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(i-14:0/0:0/8:0)
DG(i-14:0/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Kerdlan
Kerdlan belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Kerdlan is considered to be a practically insoluble (in water) and relatively neutral molecule.
(1R)-5-[2-[(1R,7Ar)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol
1-Keto-24-methylcalcifediol
1,24(S)-Dihydroxyvitamin D2
Fluvirucin A1
A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, methyl groups at position 3 and 7 and a 3-amino-3,6-dideoxy-alpha-L-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3R,4S,7R,11S stereoisomer). It is isolated from the fermentation broth of an unidentified actinomycete species and exhibits potent inhibitory activity against influenza A virus. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(3beta,5alpha,8alpha)-5,8-Epidioxy-23,24-didemethylgorgost-6-en-3-ol|5alpha,8alpha-epidioxy-23,24-didemethylgorgost-6-en-3beta-ol|5alpha,8alpha-epidioxy-23,24-didemethylgorgost-6-ene-3beta-ol
6-desmethyl-N-methylfluvirucin A1
A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, a methyl group at position 3 and a 3,6-dideoxy-3-(methylamino)-alpha-L-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3R,4S,11S stereoisomer). It is isolated from the fermentation broth of Nonomuraea turkmeniaca MA7364 and exhibits anthelminthic activity. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(3beta,5alpha,8alpha)-5,8-epidioxyergost-6,24(28)-dien-3-ol|5,8-epidioxy-24-methylcholesta-6,24(28)-dien-3beta-ol|5,8alpha-epidioxy-5alpha-ergosta-6,24(28)-dien-3beta-ol|5alpha,8alpha-Epidioxy-24-methylcholesta-6,24(28)-dien-3beta-ol
(20S)-3beta,20-dihydroxyergosta-5,24(28)-dien-16-one
(3S,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-3,25,26-triol
(5beta,7beta,20xi,22E)-11,20-Dihydroxy-23-methylcholesta-1,22-dien-7-one
24-methyl-7-oxocholesta-5,24(28)-diene-3beta,19-diol|24-Methyl-7-oxocholesta-5,24(28)-diene-3??,19-diol|24-methylcholesta-5,24(28)-diene-3beta,19-diol-7-one
24,28-Dihydro-5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol
3beta,11alpha-dihydroxyergosta-8,24(28)-dien-7-one
An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3beta,11alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
24-methylenecholesta-52,2E-dien-1alpha,3beta,7beta-triol|sinugrandisterol B
5,8-epidioxy-5alpha,8alpha-ergosta-9(11),22t-dien-3beta-ol|5alpha,8alpha-epidioxyergosta-6,9(11),22-dien-3beta-ol
2-(3-acetoxy-4,4,14-trimethylandrost-8-en-17-yl)propanoic acid
(3beta)-3,20-dihydroxyergosta-5,24(28)-dien-7-one|(3S,8S,9S,10R,13S,14S,17S)-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-hydroxy-17-[(2S)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-7H-cyclopenta[a]phenanthren-7-one
cholest-1-en-3-on-20(R)-oic acid methyl ester|methyl spongoate
24-methylcholesta-7,24(28)-diene-3beta,5alpha-diol-6-one
(3S,5Z,7E,22E,24xi)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25,28-triol
12alpha-acetoxy-20,24-dimethyl-25-norscalar-16-en-24-one
Ergosterol_peroxide
Ergosterol peroxide is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has a role as a metabolite, an antineoplastic agent, an antimycobacterial drug and a trypanocidal drug. It is an organic peroxide, an ergostanoid, a 3beta-sterol and a member of phytosterols. It is functionally related to an ergosterol. Ergosterol peroxide is a natural product found in Benincasa hispida, Rhizoplaca melanophthalma, and other organisms with data available. An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities.
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol_major
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol_68.2\\%
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,?.0²,?.0¹?,¹?]nonadec-18-en-13-ol
(22Z)-1α,25-dihydroxy-20-epivitamin D2 / (22Z)-1α,25-dihydroxy-20-epiergocalciferol
(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol
(7E,22E)-(3S,6S)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol
Ercalcitriol
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
1α,25-dihydroxy-24-epivitamin D2 / 1α,25-dihydroxy-24-epiergocalciferol
5(E)-1α,25-dihydroxyvitamin D2 / 5(E)-1α,25-dihydroxyergocalciferol
5(E)-1α,25-dihydroxy-24-epivitamin D2 / 5(E)-1α,25-dihydroxy-24-epiergocalciferol
1β,25-dihydroxyvitamin D2 / 1β,25-dihydroxyergocalciferol
1β,25-dihydroxy-24-epivitamin D2 / 1β,25-dihydroxy-24-epiergocalciferol
5(E)-1β,25-dihydroxyvitamin D2 / 1β,25-dihydroxyergocalciferol
5(E)-1β,25-dihydroxy-24-epivitamin D2 / 5(E)-1β,25-dihydroxy-24-epiergocalciferol
24,25-dihydroxy-24-epivitamin D_2 / 24,25-dihydroxy-24-epiergocalciferol
(24R)-24,26-dihydroxyvitamin D2 / (24R)-24,26-dihydroxyergocalciferol
(24S)-1α,24-dihydroxyvitamin D2 / (24S)-1α,24-dihydroxyergocalciferol
(5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
1α,25-dihydroxy-18-methylidenevitamin D3 / 1α,25-dihydroxy-18-methylidenecholecalciferol
(5Z,7E,22E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E,22E)-(1S,3R,25R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E,22E)-(1S,3R,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol
(5Z,7E)-(1R,3R)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol
Carcinomedin
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
3,5-Dihydroxyergosta-7,22-dien-6-one
(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol
5,6-Epoxiergosta-8,22-diene-3,7-diol
Peroxyergosterol
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol
stigmastane-3,6-dione
(5α)-Stigmastane-3,6-dione is a naturally occurring sterol that could be isolated from fruits of Ailanthus altissima Swingle. Antimicrobial Activity.[1]. (5α)-Stigmastane-3,6-dione is a naturally occurring sterol that could be isolated from fruits of Ailanthus altissima Swingle. Antimicrobial Activity.[1].
(3alpha,5alpha,7alpha)-14-Methylergosta-9(11),24(28)-dien-3,7-diol
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde
leucisterol
A member of the class of phytosterols that is stigmasta-5,22-diene substituted by hydroxy groups at positions 3 and 20 (the 3beta,22E stereoisomer). Isolated from the whole plants of Leucas urticifolia, it exhibits cholinesterase inhibitory activity.
1alpha,25-dihydroxy-20-epivitamin D2
(22Z)-1alpha,25-dihydroxy-20-epivitamin D2
(6R)-6,19-epidioxy-6,19-dihydrovitamin D2
(6S)-6,19-epidioxy-6,19-dihydrovitamin D2
(7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol
(7E,22E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol
1alpha,25-dihydroxyvitamin D2
A hydroxycalciol that is vitamin D2 bearing additional hydroxy substituents at positions 1alpha and 25.
1alpha,25-dihydroxy-24-epivitamin D2 / 1alpha,25-dihydroxy-24-epiergocalciferol
5(E)-1alpha,25-dihydroxyvitamin D2 / 5(E)-1alpha,25-dihydroxyergocalciferol
5(E)-1alpha,25-dihydroxy-24-epivitamin D2
1beta,25-dihydroxyvitamin D2 / 1beta,25-dihydroxyergocalciferol
1beta,25-dihydroxy-24-epivitamin D2
5(E)-1beta,25-dihydroxyvitamin D2 / 1beta,25-dihydroxyergocalciferol
5(E)-1beta,25-dihydroxy-24-epivitamin D2
(24R)-24,25-dihydroxyvitamin D2
24,25-dihydroxy-24-epivitamin D2
(24S)-1alpha,24-dihydroxyvitamin D2 / (24S)-1alpha,24-dihydroxyergocalciferol
1alpha,25-dihydroxy-18-methylidenevitamin D3 / 1alpha,25-dihydroxy-18-methylidenecholecalciferol
1alpha-hydroxy-26,27-dimethylvitamin D3 / 1alpha-hydroxy-26,27-dimethylcholecalciferol
(6S)-6,19-ethano-25-hydroxy-6,19-dihydrovitamin D3
(6R)-6,19-ethano-25-hydroxy-6,19-dihydrovitamin D3
25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrovitamin D3 / 25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrocholecalciferol
2,6-Bis[(2,2,6,6-tetramethyl-1-piperidinyl)Methyl]phenylboronic Acid (contains varying amounts of Anhydride)
N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycine
1alpha-Hydroxyvitamin D5
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
1alpha,24S-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
1,24-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
CID 71307325
(22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 7 and an epoxy group across positions 5 and 6 (the 3beta,5alpha,6alpha,7alpha stereoisomer). It has been isolated from Aspergillus ochraceus as well as Penicillium commune.
Alternapyrone
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl groups, respectively. It is a decaketide that is anabolized by a type I polyketide synthase in Alternaria solani.
AIDS-398407
(22alpha)-hydroxy-isofucosterol
(22alpha)-hydroxy-isofucosterol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24 (22alpha)-hydroxy-isofucosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22alpha)-hydroxy-isofucosterol can be found in a number of food items such as garden onion (variety), sunflower, mammee apple, and prickly pear, which makes (22alpha)-hydroxy-isofucosterol a potential biomarker for the consumption of these food products. (22α)-hydroxy-isofucosterol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24 (22α)-hydroxy-isofucosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22α)-hydroxy-isofucosterol can be found in a number of food items such as garden onion (variety), sunflower, mammee apple, and prickly pear, which makes (22α)-hydroxy-isofucosterol a potential biomarker for the consumption of these food products.
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde can be found in a number of food items such as lemon thyme, roselle, bog bilberry, and narrowleaf cattail, which makes 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde a potential biomarker for the consumption of these food products. 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carbaldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carbaldehyde can be found in a number of food items such as lemon thyme, roselle, bog bilberry, and narrowleaf cattail, which makes 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carbaldehyde a potential biomarker for the consumption of these food products.
4alpha-hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol
4alpha-hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. 4alpha-hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4alpha-hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol can be found in a number of food items such as black walnut, moth bean, sourdock, and chinese water chestnut, which makes 4alpha-hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products. 4α-hydroxymethyl-ergosta-7,24(241)-dien-3β-ol belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. 4α-hydroxymethyl-ergosta-7,24(241)-dien-3β-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4α-hydroxymethyl-ergosta-7,24(241)-dien-3β-ol can be found in a number of food items such as black walnut, moth bean, sourdock, and chinese water chestnut, which makes 4α-hydroxymethyl-ergosta-7,24(241)-dien-3β-ol a potential biomarker for the consumption of these food products.
Cholesteryl acetate
A cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid. Cholesteryl acetate is a normal human cholesteryl ester present in diverse fluids and organs. Cholesteryl acetate is also present in foods. Food oxidation affects the quality and safety of the human diet by generating compounds with biological activities that can adversely affect health. In particular the susceptibility of cholesterol to oxidation is well known; certain products of cholesterol oxidation have been reported to produce cytotoxic, angiotoxic and carcinogenic effects. Cholesteryl ester (CE) is the major transport and storage form of cholesterol in lipoprotein particles and most cell types. Molecular composition of CE species is of high interest for arteriosclerosis research, i.e., as components of lipoprotein subclasses or in studies investigating the mechanisms involved in the generation of lipid laden foam cells. Thus, it has been shown that CE species in circulating plasma are strongly correlated with development of coronary heart disease. This may be related to specific CE species profiles generated by enzymes involved in lipoprotein metabolism like lecithin:cholesterol acyltransferase (EC 2.3.1.43, LCAT), acyl-coenzyme A:cholesterol acyltransferase 2 (EC 2.3.1.26, ACAT2) or cholesteryl ester transfer protein (CETP). The cholesteryl ester transfer protein has a key role in the metabolism of high-density lipoprotein (HDL), mediating the exchange of lipids between lipoproteins, resulting in the net transfer of cholesteryl ester from HDL to other lipoproteins and in the subsequent uptake of cholesterol by hepatocytes. By increasing the cholesteryl ester content of low-density and very-low-density lipoproteins, CETP promotes the atherogenicity of these lipoproteins. In addition, high plasma concentrations of CETP are associated with reduced concentrations of HDL cholesterol. (PMID: 10918380, 16458590, 9420339, 3343104, 6721900, 7278520) [HMDB]
Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3beta,5alpha,8alpha,22E)-
3-hydroxy-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol
A natural product found in Melia toosendan.
1alpha,25-dihydroxy-20-epivitamin D2/1alpha,25-dihydroxy-20-epiergocalciferol
25-hydroxy-26,27-dimethylvitamin D3/25-hydroxy-26,27-dimethylcholecalciferol
4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
4beta-Formyl-4alpha-methyl-5alpha-cholesta-8-en-3beta-ol
3beta-Hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carbaldehyde
4alpha-Hydroxymethyl-14alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol
(5Z)-5-[(2E)-2-[1-(5-ethyl-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(3Z)-5-hydroxy-3-[(2E)-2-[1-(6-hydroxy-5,6-dimethylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-one
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(1R)-5-[2-[(1R,7Ar)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(6R,10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 13992093
(5α)-Stigmastane-3,6-dione is a naturally occurring sterol that could be isolated from fruits of Ailanthus altissima Swingle. Antimicrobial Activity.[1]. (5α)-Stigmastane-3,6-dione is a naturally occurring sterol that could be isolated from fruits of Ailanthus altissima Swingle. Antimicrobial Activity.[1].
6beta-Hydroxystigmast-4-en-3-one
A natural product found in Beilschmiedia tsangii.
Methyl Spongoate
A steroid ester that is methyl (5alpha)-cholest-1-en-21-oate substituted by an oxo group at position 3. Isolated from Hainan soft coral Dendronephthya studeri, it exhibits antitumour activity.
(3S,4S,5R,10R,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde
(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
(1-Hydroxy-3-octanoyloxypropan-2-yl) tetradecanoate
(1-Butanoyloxy-3-hydroxypropan-2-yl) octadecanoate
(1-Heptanoyloxy-3-hydroxypropan-2-yl) pentadecanoate
(1-Hydroxy-3-propanoyloxypropan-2-yl) nonadecanoate
(1-Hydroxy-3-pentanoyloxypropan-2-yl) heptadecanoate
Nandrolone decanoate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D050071 - Bone Density Conservation Agents
4alpha-hydroxymethyl-4beta-methylzymosterol
A 3beta-sterol that consists of 4beta-methylzymosterol in which the 4alpha-hydrogen is replaced by a hydroxymethyl group.
4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol
A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying formyl and methyl substituents at position 4.
1,24(S)-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
(22E,24R)-3beta,5alpha-dihydroxyergosta-7,22-dien-6-one
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at position 3 and 5 and an oxo group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
1alpha,25-dihydroxyvitamin D2 / 1alpha,,25-dihydroxyergocalciferol
(1s,3r,6s,8s,11s,12s,15r,16s)-15-[(2s,3r)-3-hydroxy-6-methylhept-6-en-2-yl]-7,7,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
n-[(1s)-1-[(6s,8r,11r,12s,14r,15s,16r)-6-(dimethylamino)-14-hydroxy-7,7,12,16-tetramethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-15-yl]ethyl]carboximidic acid
(1s,9r,11s,12s,15r,16r,18r)-15-[(2r,5s)-5,6-dimethylheptan-2-yl]-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.0³,⁹.0¹²,¹⁶]octadeca-2,4-dien-7-one
9a,11a-dimethyl-1-(5-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(1s,2r,5s,7r,9s,10s,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-11-ene-5,10-diol
(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-[(2s,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
(2r,5s,7s,9r,10r,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-1(11)-ene-5,10-diol
(1r,4r,5ar,7s,9as,9br,11ar)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-6-methylidene-1h,2h,3h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
9a,11a-dimethyl-1-(6-methyl-5-methylidenehept-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7,9-triol
7-hydroxy-1-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-9a,11a-dimethyl-1h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-one
(1r,3ar,3br,7s,9ar,9br,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(2r,3r,4r,5s,6s)-2-{[(3r,4s,11s)-11-ethyl-2-hydroxy-3-methyl-1-azacyclotetradec-1-en-4-yl]oxy}-6-methyl-4-(methylamino)oxane-3,5-diol
(1r,3as,3bs,7r,9ar,9bs,11ar)-7-(2-hydroxyethyl)-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,2s,5s,14r,15r)-14-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]octadec-9-en-16-one
(1r,2r,5r,6r,9r,10r,13s,15r)-5-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(1r,3as,3bs,4r,7s,9ar,9bs,11ar)-1-[(2r,3z,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
9a,11a-dimethyl-1-[5-(2-methylcyclopropyl)hexan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
1-(5,6-dimethylhept-3-en-2-yl)-5a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1r,3ar,3bs,5as,7s,9as,9bs,11as)-9a,11a-dimethyl-1-[(2s,5s)-5-methylhept-3-en-2-yl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate
8a-hydroxy-4,4a,6b,11,11,12b,14a-heptamethyl-tetradecahydro-1h-picen-3-one
5a,5b,8,8,11a,13b-hexamethyl-3-(oxiran-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-13a-ol
(1s,2r,5s,7s,9r,11s,12s,15r,16r)-15-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol
(1r,3ar,5r,5ar,7s,9ar,11ar)-1-[(2r,3e)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2s,3r,5r)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
1-(1-hydroxyethenyl)-3a,5a,5b,8,8,11a-hexamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol
(3s,3as,5as,5br,7as,11as,11br,13as,13bs)-5a,5b,8,8,11a,13b-hexamethyl-3-[(2r)-oxiran-2-yl]-tetradecahydro-1h-cyclopenta[a]chrysen-13a-ol
(1r,3ar,3br,7s,9ar,9br,11ar)-1-[(2r,5r)-5-hydroxy-5-isopropylhept-6-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1r,3ar,5as,7s,9as,9br,11ar)-1-[(2r,5r)-5-hydroxy-5-isopropylhept-6-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1s,2r,5s,7r,9s,12r,15r,16r)-15-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol
15-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-11-ene-5,10-diol
5-(5,6-dimethylhept-3-en-2-yl)-2,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13bs)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a,9-diol
1-(5-ethyl-5-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3s,5ar,7s,9ar,9br,11ar)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-6-methylidene-1h,2h,3h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3,7-diol
(1r,3ar,5ar,6r,7s,9ar,9br,11ar)-6,9a,11a-trimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-6,7-diol
(1s,3r,6s,9s,10r,11s,15s,17r,19s,20r)-17-ethoxy-15-methoxy-3,6,19-trimethyl-9-(prop-1-en-2-yl)-16-oxapentacyclo[12.5.1.0³,¹¹.0⁶,¹⁰.0¹⁷,²⁰]icos-13-ene
(6r)-6-[(1s,3r,6s,7s,8s,11s,12s,15r,16r)-6-hydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylheptan-3-one
(1r,3ar,5as,7s,9as,9br,11ar)-1-[(2r,5s)-5-hydroxy-5-isopropylhept-6-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1s,2r,6r,9r,10r,13s,15s)-5-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
(1r,3as,3bs,4r,9ar,9bs,11ar)-1-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3ar,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a,9-diol
1-[(1r,3ar,5ar,5br,7ar,9r,11ar,11br,13ar,13bs)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone
6,10-dimethyl-5-(6-methyl-5-methylideneheptan-2-yl)-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(2s,3r,4s,5s,6r)-4-amino-2-{[(5r,6r,9s,13s)-13-ethyl-14-hydroxy-5,9-dimethyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol
(1r,3as,3bs,5r,9as,9bs,11ar)-1-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
21-Hydroxy-30-norhopan-22-one
{"Ingredient_id": "HBIN003574","Ingredient_name": "21-Hydroxy-30-norhopan-22-one","Alias": "21-hydroxy-30-norhopan-22-one; 1-[(3R,3aR,5bR,11aS,13aR)-3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-yl]ethanone; AC1NSWNO","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC(=O)C1(CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C)O","Ingredient_weight": "428.77","OB_score": "34.10829417","CAS_id": "NA","SymMap_id": "SMIT01038","TCMID_id": "10540","TCMSP_id": "MOL003266","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22,29ξ-epoxy-30-norhopane-13β-ol
{"Ingredient_id": "HBIN003628","Ingredient_name": "22,29\u03be-epoxy-30-norhopane-13\u03b2-ol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7177","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-dihydrostigmast-4-en-3,6-dione
{"Ingredient_id": "HBIN003695","Ingredient_name": "22-dihydrostigmast-4-en-3,6-dione","Alias": "Stigmasta-4,22-diene-3,6-dione","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)C(C)C","Ingredient_weight": "428.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15092","TCMID_id": "5719","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716106","DrugBank_id": "NA"}
22E-3β,5α-dihydroxyergosta-7,22-dien-6-one
{"Ingredient_id": "HBIN003725","Ingredient_name": "22E-3\u03b2,5\u03b1-dihydroxyergosta-7,22-dien-6-one","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(=O)C4(C3(CCC(C4)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37184","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(24R)-3β-hydroxy-24-ethylcholest-5-en-7- one
{"Ingredient_id": "HBIN004497","Ingredient_name": "(24R)-3\u03b2-hydroxy-24-ethylcholest-5-en-7- one","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34282","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(24r)-saringosterol
{"Ingredient_id": "HBIN004514","Ingredient_name": "(24r)-saringosterol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O","Ingredient_weight": "428.7 g/mol","OB_score": "39.35953872","CAS_id": "NA","SymMap_id": "SMIT12654","TCMID_id": "NA","TCMSP_id": "MOL011802","TCM_ID_id": "NA","PubChem_id": "14161396","DrugBank_id": "NA"}
27-nor-3β-hydroxy-25-oxocycloartane
{"Ingredient_id": "HBIN005035","Ingredient_name": "27-nor-3\u03b2-hydroxy-25-oxocycloartane","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC(CCCC(=O)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
28-nor-urs-12-ene-3β-,17β-diol
{"Ingredient_id": "HBIN005070","Ingredient_name": "28-nor-urs-12-ene-3\u03b2-,17\u03b2-diol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
30-nor-lupan-3β-ol-20-one
{"Ingredient_id": "HBIN006886","Ingredient_name": "30-nor-lupan-3\u03b2-ol-20-one","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC(=O)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3β,5α,8α,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol
{"Ingredient_id": "HBIN008090","Ingredient_name": "(3\u03b2,5\u03b1,8\u03b1,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-hydroxy-29-norcycloart-24-one
{"Ingredient_id": "HBIN008226","Ingredient_name": "3\u03b2-hydroxy-29-norcycloart-24-one","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=O)C(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15894","TCMID_id": "10538","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-epidioxyergosta-6,22-dien-3-ol
{"Ingredient_id": "HBIN011351","Ingredient_name": "5,8-epidioxyergosta-6,22-dien-3-ol","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","Ingredient_weight": "428.6 g/mol","OB_score": "22.70962694","CAS_id": "NA","SymMap_id": "SMIT08480","TCMID_id": "NA","TCMSP_id": "MOL006943","TCM_ID_id": "NA","PubChem_id": "6433319","DrugBank_id": "NA"}
7β-hydroxystigmasterol
{"Ingredient_id": "HBIN013116","Ingredient_name": "7\u03b2-hydroxystigmasterol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(C=CC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39603","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxystigmasterol
{"Ingredient_id": "HBIN013290","Ingredient_name": "7-hydroxystigmasterol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(C=CC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C","Ingredient_weight": "428.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129728404","DrugBank_id": "NA"}
7-oxo-β-sitosterol
{"Ingredient_id": "HBIN013429","Ingredient_name": "7-oxo-\u03b2-sitosterol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-oxositosterol
{"Ingredient_id": "HBIN013443","Ingredient_name": "7-oxositosterol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26508","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adiantuoleanone
{"Ingredient_id": "HBIN014721","Ingredient_name": "adiantuoleanone","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4CC(CC5)(C)O)C)C)C)C","Ingredient_weight": "428.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10765002","DrugBank_id": "NA"}
adipedatol
{"Ingredient_id": "HBIN014723","Ingredient_name": "adipedatol","Alias": "NA","Ingredient_formula": "C29H48O2","Ingredient_Smile": "CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C46CCC5C(OC6)(C)O)C)C)C)C","Ingredient_weight": "428.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12127456","DrugBank_id": "NA"}
