Exact Mass: 428.2986
Exact Mass Matches: 428.2986
Found 500 metabolites which its exact mass value is equals to given mass value 428.2986,
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
Primolut depot
CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10390; ORIGINAL_PRECURSOR_SCAN_NO 10389 CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10271; ORIGINAL_PRECURSOR_SCAN_NO 10269 CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10375; ORIGINAL_PRECURSOR_SCAN_NO 10374 CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10383; ORIGINAL_PRECURSOR_SCAN_NO 10381 CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10318; ORIGINAL_PRECURSOR_SCAN_NO 10317 CONFIDENCE standard compound; INTERNAL_ID 655; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10339; ORIGINAL_PRECURSOR_SCAN_NO 10337 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
4,4-Diapolycopenedial
12-epi-Scalaradial
(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
Sorbitan oleate
Sorbitan oleate is an emulsifier and clarification agent in food preparations (sugar liquor or juice Emulsifier and clarification agent in food preparations (sugar liquor or juice) D013501 - Surface-Active Agents
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.
25-Hydroxyvitamin D3-26,23-lactone
This compound belongs to the family of Sesterterpene Lactones. These are sesterterpenes containing a lactone ring
(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.
Spirostane-3,6-dione
Spirostane-3,6-dione is found in fruits. Spirostane-3,6-dione is isolated from fruits of Solanum torvum (pea eggplant). Isolated from fruits of Solanum torvum (pea eggplant). Spirostane-3,6-dione is found in fruits.
(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
Glyceryl lactooleate
Glyceryl lactooleate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Schidigeragenin B
Schidigeragenin B is found in fruits. Genin from Yucca schidigera (Mojave yucca
(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
[(8R,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
Calcifediol lactone
Triheptanoin
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products
MG(PGF2alpha/0:0/0:0)
MG(PGF2alpha/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(PGE1/0:0/0:0)
MG(PGE1/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(PGD1/0:0/0:0)
MG(PGD1/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGF2alpha/0:0)
MG(0:0/PGF2alpha/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGE1/0:0)
MG(0:0/PGE1/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGD1/0:0)
MG(0:0/PGD1/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
3-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Neoruscogenin
Neoruscogenin is a natural product found in Helleborus orientalis with data available. Neoruscogenin, a member of the steroidal sapogenin family, is a bioavailable, potent, and high-affinity agonist of the nuclear receptor RORα (NR1F1)[1]. Neoruscogenin, a member of the steroidal sapogenin family, is a bioavailable, potent, and high-affinity agonist of the nuclear receptor RORα (NR1F1)[1].
13-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
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
Triheptanoin
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products
(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
(2E,6E)-2-(10(S),11(S)-dihydroxygeranylgeranyl)-6-methyl-1,4-benzoquinone
3,6-Dihydroxy-2-(15-phenylpentadecanoyl)-2-cyclohexen-1-one
17-Hydroxy-2-(5-Hydoxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzendiol|2-((2E,6E,10E,14Z)-5-hydroxy-15-hydroxymethyl-3,7,11-trimethylhexadeca-2,6,10,14-tetraenyl)-6-methylhydroquinone|2-<(2E,6E,10E,14Z)-5-hydroxy-15-hydroxymethyl-3,7,11-trimethylhexadeca-2,6,10,14-tetraenyl>-6-methylhydroquinone|2-[(2E,6E,10E,14Z)-5-hydroxy-15-hydroxymethyl-3,7,11-trimethylhexadeca-2,6,10,14-tetraenyl]-6-methylhydroquinone
(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
(25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-on|(25R)-3beta-hydroxy-5alpha-spirost-9(11)-en-12-one|3beta-hydroxy-9(11)-en-12-oxo-(25R)-5alpha-spirostane|9(11)-dehydrohecogenin|9-dehydrohecogenin|Delta9(11)-22-isoallospirosten-3beta-ol-12-one|Delta9(11)-hecogenin
(25R)-17-Hydroxy-spirost-4-en-3-on|(25R)-17-hydroxy-spirost-4-en-3-one|(25R)-17alpha-hydroxyspirost-4-en-3-one|diosbulbisin A
(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
4-hydroxy-3-(((1R,4aR,5S,6S,8aR)-6-hydroxy-5,8a-dimethyl-2-methylene-5-(4-methylpent-3-enyl)-decahydronaphthalen-1-yl)-methyl)-5,6-dimethyl-2H-pyran-2-one|BR-050
2-((2E,6E)-5-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-2,6,14-trienyl)-6-methylhydroquinol|2-<(2E,6E)-5-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-2,6,14-trienyl>-6-methylhydroquinol
(5alpha,12beta,17beta)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]gonan-3-one|cylindrictone B
4,4,14-trimethyl-3,7,15-trimethyl-3,7-dioxochol-8-en-24-oic acid|4,4,14-trimethyl-3,7-dioxochol-8-en-24-oic acid|4,4,14alpha-trimethyl-3,7-dioxo-5alpha-chol-8-en-24-oic acid
20S,24-epoxy-25,26,27-trisnor-24-oxo-3,4-seco-dammar-4(28),22-dien-3-oic acid
3-Oxo-21|A-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
(2R)-2,8-dimethyl-2-[(3E,7E)-4,8-dimethyl-13-hydroxy-12-hydroxymethyldeca-3,7,11-trienyl]chroman-6-ol|delta-amplexichromanol
erythro-23-O-methylneocyclocitrinol|threo-23-O-methylneocyclocitrinol
15alpha-hydroxy-3-oxo-5alpha-lanosta-7,9(11)-dien-24-oic acid|ganoderic acid Jd
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
3beta,11alpha-dihydroxyspirosta-5,25(27)-diene|spirost-5,25(27)-diene-3beta,11alpha-diol
(16beta,22E)-16,18,20-Trihydroxycholesta-1,4,22-trien-3-one|(20S,22E)-cholesta-1,4,22-triene-16beta,18,20-triol-3-one
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.
MLS001148643-01!17ALPHA-HYDROXYPROGESTERONE CAPROATE630-56-8
Sorbitane Monooleate - Polysorbate 80 in-source fragment
C27H40O4_(3beta,5alpha,8xi,14xi,25S)-3-Hydroxyspirost-9(11)-en-12-one
(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
Ala Ile Ile Ile
Ala Ile Ile Leu
Ala Ile Leu Ile
Ala Ile Leu Leu
Ala Leu Ile Ile
Ala Leu Ile Leu
Ala Leu Leu Ile
Ala Leu Leu Leu
Gly Lys Lys Pro
Gly Lys Pro Lys
Gly Pro Lys Lys
Ile Ala Ile Ile
Ile Ala Ile Leu
Ile Ala Leu Ile
Ile Ala Leu Leu
Ile Ile Ala Ile
Ile Ile Ala Leu
Ile Ile Ile Ala
Ile Ile Leu Ala
Ile Leu Ala Ile
Ile Leu Ala Leu
Ile Leu Ile Ala
Ile Leu Leu Ala
Ile Val Val Val
Lys Gly Lys Pro
Lys Gly Pro Lys
Lys Lys Gly Pro
Lys Lys Pro Gly
Lys Pro Gly Lys
Lys Pro Lys Gly
Leu Ala Ile Ile
Leu Ala Ile Leu
Leu Ala Leu Ile
Leu Ala Leu Leu
Leu Ile Ala Ile
Leu Ile Ala Leu
Leu Ile Ile Ala
Leu Ile Leu Ala
Leu Leu Ala Ile
Leu Leu Ala Leu
Leu Leu Ile Ala
Leu Leu Leu Ala
Leu Val Val Val
Pro Gly Lys Lys
Pro Lys Gly Lys
Pro Lys Lys Gly
Val Ile Val Val
Val Leu Val Val
Val Val Ile Val
Val Val Leu Val
Val Val Val Ile
Val Val Val Leu
(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
(23R,25R)-25-hydroxyvitamin D3 26,23-lactone / (23R,25R)-25-hydroxycholecalciferol 26,23-lactone
(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / (23S,25R)-25-hydroxycholecalciferol 26,23-lactone
(23R,25S)-25-hydroxyvitamin D3 26,23-lactone / (23R,25S)-25-hydroxycholecalciferol 26,23-lactone
(23S,25S)-25-hydroxyvitamin D3 26,23-lactone / (23S,25S)-25-hydroxycholecalciferol 26,23-lactone
(5Z,7E,22E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,24S,25S)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(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
1,25-Dihydroxy-24-oxo-16-ene-vitamin D3
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
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
Schidigeragenin B
Chlorogenone
Peroxyergosterol
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol
Sorbitan oleate
D013501 - Surface-Active Agents
ascr#31
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,17R)-17-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#31
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-18-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
(23S,25R)-25-hydroxyvitamin D3 26,23-lactone
(22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3
(22E)-(24S,25S)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3
1,3-Di(1-adamantyl)imidazolinium Tetrafluoroborate
1,4,8,11-Tetrakis(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
5-(3,5-dimethyl-4-octoxyphenyl)-3-hexylthiophene-2-carbaldehyde
Scalaradial
A scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity.
(2E)-18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadec-2-enoic acid
(2E,17R)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadec-2-enoic acid
[(8R,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
prostaglandin F2alpha 1-glyceryl ester
A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin F2alpha with the 1-hydroxy group of glycerol.
(22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3/(22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrocholecalciferol
(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-oxoheptanoic acid
16-Hydroxy-7,9,13-trimethyl-5-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2-oxane]-10-one
3-hydroxy-5-[2-[(4Z)-4-[(2E)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyloxolan-2-one
O-hexadecanedioyl-L-carnitine(1-)
A dicarboxylic acid monoanion that is the conjugate base of O-hexadecanedioyl-L-carnitine; major spoecies at pH 7.3.
1-[3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyrrolidinecarboxamide
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
(5alpha,8xi,14xi,16xi,17xi)-3-Hydroxyspirost-9(11)-en-12-one
hydroxyprogesterone caproate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
(all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial
prostaglandin F2alpha 2-glyceryl ester
A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin F2alpha with the 2-hydroxy group of glycerol.
(1s,3as,3br,9ar,9bs,11as)-1-hydroxy-1-[(2r,3r,6r)-2-hydroxy-6-isopropyloxan-3-yl]-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-11'-en-10'-one
13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate
(1's,2r,2's,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-14',16'-diol
(2's,4'ar,4'bs,7's,8'ar)-2',4'b,7,8',8',10'a-hexamethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3h-spiro[1-benzofuran-2,1'-phenanthrene]-4,5,7'-triol
(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
2-[(2e,6e,10e,12s)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
4-hydroxy-3-{[3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-octahydro-1h-cyclopenta[a]naphthalen-6-yl]methyl}benzoic acid
(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-dione
(4r,5ar,5br,7as,11as,11br,13r,13ar)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate
(4r,6r,7z,10e)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-7,10-dien-5-one
(4r)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one
(4r,6s,7z,10e)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-7,10-dien-5-one
(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(5s)-5-[(3r,8r,10s,11s,12s,15s,16r)-10-hydroxy-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-5-methyloxolan-2-one
(4as,4br,6s,6ar,7r,10as,10br,12as)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
(3e,5s,7s,20s)-20-[(2r,4r)-2,4-dihydroxypentyl]-5,7-dihydroxy-1-oxacycloicos-3-en-2-one
2-[(2e,6e,10e)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial
2-(10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
(1s,5as,5br,7as,11as,11br,13as,13bs)-5b,8,8,11a,13a-pentamethyl-13-oxo-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-chryseno[1,2-c]furan-1-yl acetate
3-{[(3r,3ar,5as,6r,7r,9as,9br)-3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-octahydro-1h-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
4-hydroxy-1,11,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0²,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-5(9),6-dien-10-yl acetate
(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
3-epineoruscogenin
{"Ingredient_id": "HBIN008490","Ingredient_name": "3-epineoruscogenin","Alias": "NA","Ingredient_formula": "C27H40O4","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6","Ingredient_weight": "428.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21626040","DrugBank_id": "NA"}
9(11)-dehydrohecogenin
{"Ingredient_id": "HBIN013967","Ingredient_name": "9(11)-dehydrohecogenin","Alias": "NA","Ingredient_formula": "C27H40O4","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(=O)C=C5C4CCC6C5(CCC(C6)O)C)C)C)OC1","Ingredient_weight": "428.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4927","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15011079","DrugBank_id": "NA"}
