Exact Mass: 428.2859376
Exact Mass Matches: 428.2859376
Found 305 metabolites which its exact mass value is equals to given mass value 428.2859376,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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
12-epi-Scalaradial
25-Hydroxyvitamin D3-26,23-lactone
This compound belongs to the family of Sesterterpene Lactones. These are sesterterpenes containing a lactone ring
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.
Schidigeragenin B
Schidigeragenin B is found in fruits. Genin from Yucca schidigera (Mojave yucca
[(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
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
(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
(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
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
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
MLS001148643-01!17ALPHA-HYDROXYPROGESTERONE CAPROATE630-56-8
C27H40O4_(3beta,5alpha,8xi,14xi,25S)-3-Hydroxyspirost-9(11)-en-12-one
(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
1,25-Dihydroxy-24-oxo-16-ene-vitamin D3
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Schidigeragenin B
Chlorogenone
(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
1,4,8,11-Tetrakis(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
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.
[(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
1-[3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyrrolidinecarboxamide
(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
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
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
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-(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
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"}
2-[(2e,5r,6e,10e,14z)-5,16-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
(2s)-1-[(2s,5r)-5-[(2r)-1-ethoxy-1-oxopropan-2-yl]oxolan-2-yl]butan-2-yl (2s)-2-[(2s,5r)-5-[(2r)-2-hydroxypropyl]oxolan-2-yl]propanoate
5-[14-(3,5-dihydroxyphenyl)tetradecyl]-2-methylbenzene-1,3-diol
13-(6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl)-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
(5as,5br,7as,11as,11br,13r,13as,13br)-5b,8,8,11a,13a-pentamethyl-3-oxo-1h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-13-yl acetate
2-[(2e,6e,10s,11r)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(1's,2r,2's,4's,5r,7's,8'r,9's,13's,16's,18's)-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
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-13-yl acetate
(4r,5as,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,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,10e)-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
2-hydroxy-1-(2-hydroxy-6-methylhept-3-en-2-yl)-11a-(hydroxymethyl)-9a-methyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
3-(acetyloxy)-5-(heptadeca-8,11-dien-1-yl)phenyl acetate
7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-11',16'-diol
(4r,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
5b,8,8,11a,13a-pentamethyl-3-oxo-1h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-13-yl acetate
(6s)-6-[(1s)-1-[(1s,2r,5r,6r,9s,10s,11s)-10-hydroxy-2,6,10-trimethyl-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.4.1.0¹,⁹.0²,⁶]tetradecan-5-yl]ethyl]-3-methyl-5,6-dihydropyran-2-one
3-(acetyloxy)-5-[(8z,11z)-heptadeca-8,11-dien-1-yl]phenyl acetate
(4r,5s)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
3-{2-[(2r,4as,5r,8as)-2,4a-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxo-hexahydro-1h-naphthalen-2-yl]ethyl}-4-hydroxy-5,6-dimethylpyran-2-one
(1r,2s,3as,3br,9ar,9bs,11ar)-2-hydroxy-1-[(2s,3e)-2-hydroxy-6-methylhept-3-en-2-yl]-11a-(hydroxymethyl)-9a-methyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(4as,4br,8as,9r,10ar)-2-[(1r,2r)-2-hydroxy-4-methyl-5-oxocyclohex-3-en-1-yl]-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthren-9-yl acetate
2-[(1z,3s,6e,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol
7-hydroxy-3a,6,6,11a-tetramethyl-4-oxo-1-(4-oxopentan-2-yl)-1h,2h,3h,3bh,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene-9b-carbaldehyde
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
(4ar,4br,6r,6as,7r,10ar,10bs,12ar)-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
2-[(2e,6e,10e,14s)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trien-1-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
(2s,2'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
2-(8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)-6-methylbenzene-1,4-diol
(2r,9's,13's,18's)-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
4-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid
2-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trien-1-yl)-5-methylcyclohexa-2,5-diene-1,4-dione
3-{[(1r,4ar,5s,6r,8ar)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)-hexahydro-1h-naphthalen-1-yl]methyl}-4-hydroxy-5,6-dimethylpyran-2-one
(5s)-5-[(1r,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
(4s,5as,5br,7as,11as,11br,13r,13as)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-4-yl acetate
(5as,5br,7as,11as,11br,13r,13as)-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-13-yl acetate
2-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trien-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
2-[(2e,6e,10s,11s)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
16-(2,5-dihydroxy-3-methylphenyl)-2-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one
(1'r,2r,2's,4's,5s,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
2-[(2e,6e,8s,9s,10e)-8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
4-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-13-yl acetate
2-[12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
(5as,5br,7as,11as,11br,13s,13as)-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-13-yl acetate
6-{1-[10-hydroxy-2,6,10-trimethyl-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.4.1.0¹,⁹.0²,⁶]tetradecan-5-yl]ethyl}-3-methyl-5,6-dihydropyran-2-one
3-{[(3s,3as,5as,6s,7s,9ar,9bs)-3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-octahydro-1h-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
4-hydroxy-13-(6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl)-2,6,10-trimethyltrideca-2,10-dien-5-one
(1s,3as,3br,9ar,9bs,11ar)-1-[(2s)-2-hydroxy-6-methylheptan-2-yl]-11a-(hydroxymethyl)-9a-methyl-1h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-dione
3,6-dihydroxy-2-(15-phenylpentadecanoyl)cyclohex-2-en-1-one
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
(1's,2r,2's,4's,7's,8'r,9's,11'r,12's,13'r,16's)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-11',16'-diol
4-hydroxy-3-{[6-hydroxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)-hexahydro-1h-naphthalen-1-yl]methyl}-5,6-dimethylpyran-2-one
2-[(1e,3s,6e,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol
(4s,5s)-4-[(1s,3as,5ar,9ar,9br,11as)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methoxyoxolan-2-one
8'-hydroxy-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
(1r,2s,4s,10s,11s,13r,14s,19s)-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
(4r,6s,10e)-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
(1r,3as,3bs,7s,9ar,9br,11ar)-7-hydroxy-3a,6,6,11a-tetramethyl-4-oxo-1-[(2r)-4-oxopentan-2-yl]-1h,2h,3h,3bh,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene-9b-carbaldehyde
(1'r,2s,2'r,4'r,7'r,8's,9'r,12'r,13's,14's,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
4-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-13-yl acetate
13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-4-yl acetate
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-dione
2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol
(2r,2'r,4's,7's,8'r,9's,13's)-16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-en-11'-one
(4r)-4-[(1r,3s,3ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(1's,2r,2's,4's,7's,8'r,9's,12's,13'r,14'r,16's)-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
(1r,3as,3bs,7s,9ar,9br,11ar)-7-hydroxy-3a,6,6,11a-tetramethyl-4-oxo-1-[(2s)-4-oxopentan-2-yl]-1h,2h,3h,3bh,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene-9b-carbaldehyde
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',16'-dione
(4as,4br,6s,6as,7s,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
(4as,4br,6r,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
(4s,5s,6e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
2-(3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl)-5-methylbenzene-1,4-diol
(5s)-5-[(1s,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
(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',16'-dione
2-(5,16-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)-6-methylbenzene-1,4-diol
(1s,5ar,5bs,7as,11as,11br,13as,13br)-5b-formyl-8,8,11a,13a-tetramethyl-1h,4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-1-yl acetate
5-{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
(4bs,6as,10as,10bs)-3-(2-carboxyethyl)-2-(carboxymethyl)-4b,7,7,10a-tetramethyl-4ah,5h,6h,6ah,8h,9h,10h,10bh,11h,12h-naphtho[2,1-f]isoquinolin-4a-yl
C26H38NO4 (428.28006880000004)