Exact Mass: 492.2391
Exact Mass Matches: 492.2391
Found 500 metabolites which its exact mass value is equals to given mass value 492.2391
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
rac-5,6-Epoxy-retinoyl-beta-D-glucuronide
This compound belongs to the family of Diterpene Glycosides. These are diterpenes in which an isoprene unit is glycosylated.
4-Hydroxyretinoic acid glucuronide
4-Hydroxyretinoic acid glucuronide belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
Vorapaxar
PA(2:0/18:1(12Z)-O(9S,10R))
PA(2:0/18:1(12Z)-O(9S,10R)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9,10-epoxy-octadecenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(18:1(12Z)-O(9S,10R)/2:0)
PA(18:1(12Z)-O(9S,10R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(18:1(12Z)-O(9S,10R)/2:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/18:1(9Z)-O(12,13))
PA(2:0/18:1(9Z)-O(12,13)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 12,13-epoxy-octadecenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(18:1(9Z)-O(12,13)/2:0)
PA(18:1(9Z)-O(12,13)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(18:1(9Z)-O(12,13)/2:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
leukotriene-D4
Leukotriene-d4 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Leukotriene-d4 can be found in a number of food items such as prunus (cherry, plum), horned melon, wasabi, and grass pea, which makes leukotriene-d4 a potential biomarker for the consumption of these food products.
Tepotinib
Kushenol B
Kushenol B is a member of flavanones. Kushenol B is a natural product found in Sophora and Sophora flavescens with data available.
Taxuspine W
Taxuspine W is a natural product found in Taxus wallichiana, Taxus baccata, and other organisms with data available.
Kadlongilactone B
A hexacyclic triterpenoid isolated from the leaves and stems of Kadsura longipedunculata and has been found to exhibit cytotoxicity aganist human tumour cells.
Macaflavanone G
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4, a prenyl group at position 6 and a (2S)-2-methyl-2-(4-methylpent-3-en-1-yl)tetrahydro-2H-pyran ring fused across positions 2 and 3. Isolated from the leaves of Macaranga tanarius, it exhibits antineoplastic activity.
2,4,6,3-Tetrahydroxy-3-geranyl-6,6-dimethylpyrano[2,3:4,5]dihydrochalcone
Propolin G
(3E,7E)-2alpha,10beta,13alpha-triacetoxy-5alpha,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one|(3E,7E)-2??,10??,13??-Triacetoxy-5??,20-dihydroxy-3,8-seco-taxa-3,7,11-trien-9-one
(-)-Nymphaeol C|(-)-Nymphaeol-C|5,7,3,4-tetrahydroxy-6-(3,3-dimethylallyl)-2-C-geranylflavanone|5,7,3,4-tetrahydroxy-6-(3,3-dimethylallyl)-2-geranylflavanone|Nymphaeol C|nymphaeol-C|propolin G
1alpha,3beta-dihydroxy-7beta,11beta,15beta-triacetoxy-ent-kaur-16-en-6-one|nervonin C
1alpha,3beta-dihydroxy-6alpha,7beta,11beta-triacetoxy-ent-kaur-16-en-15-one|nervonin B
durumolide H|rel-(1R,3S,4S,13R,14R,7E,11E)-3,13,18-triacetoxy-4-hydroxycembra-7,11,15(17)-trien-16,14-olide
(E)-1,3-dihydroxy-6,7-dimethoxy-2-(3-methylbut-2-enyl)-8-(3,7-dimethyl-2,6-octadienyl)xanthone|6-O-methylcowanin
3beta-hydroxy-8beta-<5-hydroxy-4-(2-hydroxy-3-methylvaleroyloxy)tigloyloxy>costunolide|3beta-hydroxy-8beta-[5-hydroxy-4-(2-hydroxy-3-methylvaleroyloxy)tigloyloxy]costunolide
Acetic acid 2,3-bis(3,4,5-trimethoxybenzyl)-4-hydroxybutyl ester
lespeflorin B4
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5, 7 and 4 and prenyl groups at positions 6, 8 and 3. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
2alpha,7beta,13alpha-triacetoxy-5alpha,9alpha-dihydroxy-2(3->20)abeotaxa-4(20),11-dien-10-one|2??,7??,13??-Triacetoxy-5??,9??-dihydroxy-2(3鈥樏傗垎20)abeotaxa-4(20),11-dien-10-one
2alpha,7beta,10beta-triacetoxy-5alpha,13alpha-dihydroxy-2(3->20)abeotaxa-4(20),11-dien-9-one
2alpha,9alpha,10beta-triacetoxy-11,12-epoxy-20-hydroxytaxa-4-en-13-one
Sanggenol P
(1alpha,11beta,15beta)-1,6,11-triacetyloxy-15-hydroxy-6,7-seco-ent-kaur-16-en-7,20-olide|isorubesin A
5,7,2,4-tetrahydroxyl-6,8,5-tri-(gamma,gamma-dimethylallyl)isoflavanone|6,8,5-tri-(gamma,gamma-dimethylallyl)dalbergioidin|ormosinol
(1S,4S,5S,6R,7R,8S,9S,10S)-1,15-diacetoxy-9-benzoyloxy-4,6,8-trihydroxy-dihydro-beta-agarofuran
Ala Phe Gln Gln
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Vorapaxar
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78274 - Agent Affecting Cardiovascular System COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
tepotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000970 - Antineoplastic Agents
ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
5,6-Epoxyretinoyl glucuronide
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
ethyl N-[9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate
[(2R)-1-acetyloxy-3-phosphonooxypropan-2-yl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2R)-2-acetyloxy-3-phosphonooxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
Nymphaeol C
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3 and 4, a geranyl group at position 2 and a prenyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.
schizolaenone B
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 4 and 5, a geranyl group at position 3 and a prenyl group at position 6. Isolated from Schizolaena hystrix, it exhibits cytotoxicity against ovarian cancer cell line.
3-[1-azepanyl-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
(1R,2S,4aS,5R,6S,8R,8aS)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2R,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2-oxirane]-2,8-diyl diacetate
3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
(2S,3S,3aR,9bR)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
(2R,3R,3aS,9bS)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-1-[oxo(2-pyrazinyl)methyl]-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-2-methoxyethanone
(1R)-1-(hydroxymethyl)-7-methoxy-1-[oxo(2-pyrazinyl)methyl]-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-2-methoxyethanone
4-(beta-D-glucopyranuronosyloxy)retinoic acid
A hydroxyretinoic glucuronide that is all-trans-4-hydroxyretinoic acid attached to a beta-D-glucuronic acid residue via a glycosidic linkage.
1-O-all-trans-4-hydroxyretinoyl-beta-glucuronic acid
A hydroxyretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-hydroxyretinoic acid with beta-glucuronic acid.
(2R,3R,3aS,9bS)-1-N-cyclopentyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-2-N-(pyrimidin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
methyl 6-{[4-deoxy-4-formamido-alpha-D-rhamnopyranosyl-(1->3)-4-deoxy-4-formamido-alpha-D-rhamnopyranosyl]oxy}hexanoate
(2S,3S,3aR,9bR)-1-N-cyclopentyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-2-N-(pyrimidin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid
A retinoid that is 5,6-epoxyretinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue.
3,12-bis(acetyloxy)-10,14-dihydroxy-7,11,16,16-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1,7-dien-6-yl acetate
(1r,2s)-1-[(1r,4as,8s,9r,11ar)-1-(acetyloxy)-8,9-dihydroxy-7-methyl-11-methylidene-1h,4ah,5h,8h,9h,10h,11ah-cyclonona[c]pyran-4-yl]-1-(acetyloxy)-4-methylpent-3-en-2-yl acetate
4,8,11b-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,2h,3h,4ah,5h,6h,10ah,11h-phenanthro[3,2-b]furan-7,9-dione
(1s,2r,3s,4r,7s,8z,12r,13s,14s)-12,14-bis(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-2-yl acetate
(1r,2s,4ar,5r,6s,7r,8r,8ar)-2,7-bis(acetyloxy)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
5',9,9,14,18-pentamethyl-3'h-8,20,24-trioxaspiro[hexacyclo[19.2.1.0²,¹³.0⁴,¹⁰.0¹⁴,²².0¹⁷,²²]tetracosane-19,2'-pyran]-2(13),3,5-triene-6',7-dione
(2r,3s)-4-hydroxy-2,3-bis[(3,4,5-trimethoxyphenyl)methyl]butyl acetate
3,8,9-trihydroxy-4-[4-hydroxy-3-(hydroxymethyl)but-2-en-1-yl]-6-methyl-4,7-bis(3-methylbut-2-en-1-yl)anthracen-1-one
(1s,2r,3s,4r,7s,8z,12r,13s,14s)-12,14-bis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,10r,14s,17r,18s,19s,21r,22s)-5',9,9,14,18-pentamethyl-3'h-8,20,24-trioxaspiro[hexacyclo[19.2.1.0²,¹³.0⁴,¹⁰.0¹⁴,²².0¹⁷,²²]tetracosane-19,2'-pyran]-2(13),3,5-triene-6',7-dione
2,11-bis(acetyloxy)-6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate
(1e,3s,4r,6s,9r,11s,12s,14s)-3,12-bis(acetyloxy)-9,14-dihydroxy-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1,7-dien-6-yl acetate
(4r,4as,10ar,11br)-4,8,11b-trimethyl-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,2h,3h,4ah,5h,6h,10ah,11h-phenanthro[3,2-b]furan-7,9-dione
2-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl butanoate
(2s)-2-[5-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(1s,1'r,2s,3's,5s,6's,9s,10's,11'r,12r,14s)-2-hydroxy-2,3',11,12'-tetramethyl-6-methylidene-2',8,9'-trioxaspiro[tetracyclo[10.2.1.0¹,¹⁰.0⁵,⁹]pentadecane-14,7'-tetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradecane]-10,12'-diene-7,8'-dione
(1r,2r,3r,4s,6r,7s,9s,10s,11s,13s)-6,7-bis(acetyloxy)-3,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
(1r,2r,3r,4s,6r,7s,9s,10s,11s,13s)-2,6-bis(acetyloxy)-3,7-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1r,2s,3e,5s,7e,10r,13s)-2,10-bis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxobicyclo[9.3.1]pentadeca-3,7,11-trien-13-yl acetate
(1'r,2s,2'r,3'r,5's,8'r,9'r,10'r)-9',10'-bis(acetyloxy)-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-2'-yl acetate
(1r,2s,3r,4r,7s,9r,10r,11r,14s)-2,3-bis(acetyloxy)-7-hydroxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.0¹,¹⁴.0⁴,⁹]hexadecan-10-yl acetate
2,8-bis(acetyloxy)-6,15-dihydroxy-5,5,9-trimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(2s)-5,7-dihydroxy-2-[(2r)-8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(1r,2s,3r,5s,7r,8s,9s,10s,11r,15s)-3,15-bis(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-yl acetate
2,7-bis(acetyloxy)-6,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
(2r,4s,5s,7s,8e,10s,11r,13s)-2,10-bis(acetyloxy)-7,13-dihydroxy-4,14,15,15-tetramethyl-3-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1(14),8-dien-5-yl acetate
14-deoxo-14-O- acetylorthosiphol Y
{"Ingredient_id": "HBIN001404","Ingredient_name": "14-deoxo-14-O- acetylorthosiphol Y","Alias": "14-deoxo-14-o-acetylorthosiphol y","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC(=O)OC1CC2C(C(=O)C(=CC2(C3C1(C(C(CC3O)(C)C=C)OC(=O)C)O)C)OC(=O)C)(C)C","Ingredient_weight": "492.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37493;5136","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21578028","DrugBank_id": "NA"}
1-hydroxytaxinine a
{"Ingredient_id": "HBIN002663","Ingredient_name": "1-hydroxytaxinine a","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15918","TCMID_id": "10738","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,7β,13α-triacetoxy-5α,9α-dihydroxy-2(3→20)abeotaxa-4(20),11-dien-10-one
{"Ingredient_id": "HBIN005252","Ingredient_name": "2\u03b1,7\u03b2,13\u03b1-triacetoxy-5\u03b1,9\u03b1-dihydroxy-2(3\u219220)abeotaxa-4(20),11-dien-10-one","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3O)(C)C)O)OC(=O)C)C)C(C2=C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deacetyltaxine b
{"Ingredient_id": "HBIN005509","Ingredient_name": "2-deacetyltaxine b","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)O)C(CC3OC(=O)C)O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4780","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deactyltaxine b
{"Ingredient_id": "HBIN005510","Ingredient_name": "2-deactyltaxine b","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)O)C(CC3OC(=O)C)O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30479","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3 e,7 e)-2α,10β,13α-triacetoxy-5α,20-dihydrox-y-3,8-seco-taxa-3,7,11-trien-9-one
{"Ingredient_id": "HBIN008454","Ingredient_name": "(3 e,7 e)-2\u03b1,10\u03b2,13\u03b1-triacetoxy-5\u03b1,20-dihydrox-y-3,8-seco-taxa-3,7,11-trien-9-one","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3O)(C)C)O)OC(=O)C)C)C(C2=C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21500","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3E,7E)-2alpha,10beta,13alpha-Triacetoxy-5alpha,20-dihydroxy-3,8-seco-taxa-3,7,11-trien-9-one
{"Ingredient_id": "HBIN008455","Ingredient_name": "(3E,7E)-2alpha,10beta,13alpha-Triacetoxy-5alpha,20-dihydroxy-3,8-seco-taxa-3,7,11-trien-9-one","Alias": "[(1R,2S,3E,5S,7E,10R,13S)-2,10-diacetyloxy-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-13-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] acetate; acetic acid [(1R,2S,3E,5S,7E,10R,13S)-2,10-diacetoxy-5-hydroxy-9-keto-8,12,15,15-tetramethyl-4-methylol-13-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] ester; (3e,7e)-2alpha,10beta,13alpha-triacetoxy-5alpha,20-dihydroxy-3,8-seco-taxa-3,7,11-trien-9-one; [(1R,2S,3E,5S,7E,10R,13S)-2,10-diacetoxy-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-13-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] acetate; acetic acid [(1R,2S,3E,5S,7E,10R,13S)-2,10-diacetoxy-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-13-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] ester; [(1R,2S,3E,5S,7E,10R,13S)-2,10-diacetyloxy-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-13-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] ethanoate","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC1=CCC(C(=CC(C2CC(C(=C(C2(C)C)C(C1=O)OC(=O)C)C)OC(=O)C)OC(=O)C)CO)O","Ingredient_weight": "492.6 g/mol","OB_score": "7.933338771","CAS_id": "NA","SymMap_id": "SMIT01016","TCMID_id": "32087","TCMSP_id": "MOL003237","TCM_ID_id": "NA","PubChem_id": "6326196","DrugBank_id": "NA"}
adenanthin j
{"Ingredient_id": "HBIN014681","Ingredient_name": "adenanthin j","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3OC(=O)C)(C)C)O)OC(=O)C)C)C(C2=C)O","Ingredient_weight": "492.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "614","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11081505","DrugBank_id": "NA"}
adenanthin k
{"Ingredient_id": "HBIN014682","Ingredient_name": "adenanthin k","Alias": "NA","Ingredient_formula": "C26H36O9","Ingredient_Smile": "CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3O)(C)C)O)OC(=O)C)C)C(C2=C)OC(=O)C","Ingredient_weight": "492.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "615","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11081506","DrugBank_id": "NA"}