Exact Mass: 650.3336
Exact Mass Matches: 650.3336
Found 309 metabolites which its exact mass value is equals to given mass value 650.3336
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thapsigargin
Thapsigargin is an organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. It has a role as an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor and a calcium channel blocker. It is a sesquiterpene lactone, an organic heterotricyclic compound and a butyrate ester. Thapsigargin is a natural product found in Thapsia gymnesica, Thapsia villosa, and Thapsia garganica with data available. A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES. C1907 - Drug, Natural Product > C28269 - Phytochemical > C93252 - Sesquiterpene Lactone D004791 - Enzyme Inhibitors (-)-Thapsigargin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67526-95-8 (retrieved 2024-11-06) (CAS RN: 67526-95-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Esculentoside E
Isolated from Phytolacca americana (pokeberry). Esculentoside E is found in fruits and green vegetables. Esculentoside E is found in fruits. Esculentoside E is isolated from Phytolacca americana (pokeberry
Digoxigenin bisdigitoxoside
Digoxigenin bisdigitoxoside is a metabolite of digoxin. Digoxin is a purified cardiac glycoside and extracted from the foxglove plant, Digitalis lanata. Its corresponding aglycone is digoxigenin, and its acetyl derivative is acetyldigoxin. Digoxin is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade names Lanoxin, Digitek, and Lanoxicaps. (Wikipedia)
3-trans-Caffeoyltormentic acid
3-trans-Caffeoyltormentic acid is found in fruits. 3-trans-Caffeoyltormentic acid is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 3-trans-Caffeoyltormentic acid is found in loquat and fruits.
23-trans-p-Coumaroyloxytormentic acid
23-cis-p-Coumaroyloxytormentic acid is found in fruits. 23-cis-p-Coumaroyloxytormentic acid is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 23-trans-p-Coumaroyloxytormentic acid is found in loquat and fruits.
Naloxonazine
Thapsigargin
PA(8:0/6 keto-PGF1alpha)
PA(8:0/6 keto-PGF1alpha) 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(8:0/6 keto-PGF1alpha), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha 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(6 keto-PGF1alpha/8:0)
PA(6 keto-PGF1alpha/8:0) 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(6 keto-PGF1alpha/8:0), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha at the C-1 position and one chain of octanoyl 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(8:0/TXB2)
PA(8:0/TXB2) 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(8:0/TXB2), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Thromboxane B2 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(TXB2/8:0)
PA(TXB2/8:0) 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(TXB2/8:0), in particular, consists of one chain of one Thromboxane B2 at the C-1 position and one chain of octanoyl 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).
Strychnogucine A
A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity.
Chondramide D
A chondramide that is chondramide C in which the hydrogen at position 2 of the indole moiety is replaced by a chlorine. It is produced by strains of the myxobacterium, Chondromyces crocatus.
2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene
23-(trans-p-coumaroyloxy)-3beta,6alpha,30-trihydroxyurs-12-en-28-oic acid
(20R,22R)-14alpha,20,27-trihydroxy-1-oxowitha-5,24-dienolide-3beta-(O-beta-D-glucopyranoside)
3beta,5beta,15alpha,19beta,25-pentahydroxy-16,23-dioxo-9,10-seco-9,19-cyclolanosta-5(10),9(11)-diene 3-O-alpha-L-arabinopyranoside|podocarpaside E
(14R,17S,20S,22R)-14,17,20-trihydroxy-3beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide|coagulin L
2-O-(6-O-malonyl-beta-D-glucopyranosyl)-12-O-(beta-D-glucopyranosyl)-campherenane-2-endo,12-diol
(3beta,16beta)-3,16-dihydroxypregna-5,20-diene-20-carboxylic acid gamma-lactone 3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside|pallidifloside D
1alpha,6beta,14alpha,16beta-tetramethoxy-7-oxo-18-succinylanthranoyloxy-17-(7 -> 8)abeo-aconane|anhydrolycaconitine
3,5,10,14-O-tetraacetyl-8-O-(2-methyl-butanoyl)-cyclomyrsinol
2-O-acetyl-3,4-di-O-hexanoyl-3-O-isobutyrylsucrose
27-O-beta-D-glucopyranosyl viscosalactone B|27-O-beta-D-glucopyranosylviscosalactone B
15alpha-Hydroxycimicidol 3-O-beta-D-xyloside|15alpha-hydroxycimicidol-3-O-beta-xyloside
7,13,17-O-Triacetyl-5-O-(2-methylbutyryl)-3-O-propanoyl-14-oxopremyrsinol
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_26.7\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_major
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_85.0\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_16.4\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_33.0\\%
Phe Ile Trp Trp
Phe Leu Trp Trp
Phe Trp Ile Trp
Phe Trp Leu Trp
Phe Trp Trp Ile
Phe Trp Trp Leu
Ile Phe Trp Trp
Ile Trp Phe Trp
Ile Trp Trp Phe
Leu Phe Trp Trp
Leu Trp Phe Trp
Leu Trp Trp Phe
Digoxigenin bisdigitoxoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Pro Trp Trp Tyr
Pro Trp Tyr Trp
Pro Tyr Trp Trp
Trp Phe Ile Trp
Trp Phe Leu Trp
Trp Phe Trp Ile
Trp Phe Trp Leu
Trp Ile Phe Trp
Trp Ile Trp Phe
Trp Leu Phe Trp
Trp Leu Trp Phe
Trp Pro Trp Tyr
Trp Pro Tyr Trp
Trp Trp Phe Ile
Trp Trp Phe Leu
Trp Trp Ile Phe
Trp Trp Leu Phe
Trp Trp Pro Tyr
Trp Trp Tyr Pro
Trp Tyr Pro Trp
Trp Tyr Trp Pro
Tyr Pro Trp Trp
Tyr Trp Pro Trp
Tyr Trp Trp Pro
Esculentoside E
3-trans-Caffeoyltormentic acid
23-trans-p-Coumaroyloxytormentic acid
Mantuoluoside G
Mantuoluoside H
1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE
N-[4-(2,2,3,3,4,4,4-HEPTAFLUOROBUTYRAMIDO)-3-HYDROXYPHENYL]-2-(2,4-DI-T-PENTYLPHENOXY)HEXANAMIDE
Timolol hemihydrate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Metoprolol Fumarate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Ethyl (5S,8S,11S,E)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-11-(((S)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazatetradec-12-en-14-oate
Sucrose 2-isovaleroyl-3-isodecanoyl-4-isobutanoate
sucrose-2,4-di-(2-methyl)butyryl-3-(3-methyl)pentanoyl-6-O-acetate
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
(7E)-7-[(Z)-(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
(4aR,5aS,8aR,13aS,15S,15aR,15bR)-15-[(1R,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
N-[(3S,9R,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide
N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-[(3R,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N(2)-[acetamido(1H-imidazol-4-yl)acetyl]-L-Glu-L-Ser-Gly-L-Pro-L-Val-NH2
(1R,10S,13S,14E,19S,21S)-10-[(1R,12S,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-5-carbamimidamidopentanoic acid
(2s)-4-{[(2s)-4-[(1r,4ar,5s,6r,8s,8ar)-5-[(2s,3as,6ar)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethoxy]-4-oxobutan-2-yl]oxy}-4-oxobutan-2-yl (3s)-3-hydroxybutanoate
6-(1-{5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxyethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one
(1r,10s,11r,18s,20r,21r,22s)-10-[(1r,13s,14z,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one
14-ethylidene-17-[(14e)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-9-one
2-[(2-{[2-({2-[(2-amino-1,3-dihydroxybutylidene)amino]-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene)amino]-5-carbamimidamidopentanoic acid
(3r,5s,7s,8s,9r,10r,13s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
(2r,2's)-7,7'-diethyl-8,8',9,9'-tetrahydroxy-2,2',4,4,4',4',6,6'-octamethyl-[2,2'-bianthracene]-1,1',3,3'-tetrone
2-{[3-(acetyloxy)-5-(hexanoyloxy)-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl hexanoate
[(1r,2r,3r,8r,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadeca-4,11-dien-4-yl]methyl (2e)-3-phenylprop-2-enoate
6-[1-(1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(4r,7r,10s,13r,15e,17r,18s)-7-[(2-chloro-1h-indol-3-yl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione
(1r,3r,5s,7s,8s,9r,10r,13s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
5,6-dihydroxy-2,16-dimethyl-15-{1-[4-methyl-6-oxo-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl}-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
(10s,11r,18s,20r,21s,22s)-10-[(12r,13r,14z,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one
(1r,2r,4s,5s,6s,10r,11s,15r,16r,18s,19r)-4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl benzoate
(4s,5r,7r,8r,13r,16s,19r,22r)-8-{[(2s,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one
16-oxolyclanitin 30-(4-hydroxycinnamoyl)
{"Ingredient_id": "HBIN001946","Ingredient_name": "16-oxolyclanitin 30-(4-hydroxycinnamoyl)","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16365","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-o-benzoyl-13-o-dodecanoateingenol
{"Ingredient_id": "HBIN003430","Ingredient_name": "20-o-benzoyl-13-o-dodecanoateingenol","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14447","TCMID_id": "2239","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deacetoxytaxinine j
{"Ingredient_id": "HBIN005499","Ingredient_name": "2-deacetoxytaxinine j","Alias": "NA","Ingredient_formula": "C37H46O10","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","Ingredient_weight": "650.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113931","DrugBank_id": "NA"}
3-o-benzoyl-13-o-dodecanoateingenol
{"Ingredient_id": "HBIN009123","Ingredient_name": "3-o-benzoyl-13-o-dodecanoateingenol","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "CCCCCCCCCCCC(=O)OC12CC(C34C=C(C(C3(C(C(=CC(C1C2(C)C)C4=O)CO)O)O)OC(=O)C5=CC=CC=C5)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14446","TCMID_id": "2238","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
atratoglaucoside a
{"Ingredient_id": "HBIN017316","Ingredient_name": "atratoglaucoside a","Alias": "NA","Ingredient_formula": "C34H50O12","Ingredient_Smile": "CC1C(C(CC(O1)OC2C(OC(C(C2OC)O)OC3CCC4(C5CCC6=COC7(C6C(CO7)OC(=O)C5CC=C4C3)C)C)C)O)O","Ingredient_weight": "650.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14427","TCMID_id": "1991","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101109728","DrugBank_id": "NA"}