Exact Mass: 556.2156
Exact Mass Matches: 556.2156
Found 500 metabolites which its exact mass value is equals to given mass value 556.2156
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
RD4-2174
Ingenol 3,20-dibenzoate is a benzoate ester. Ingenol 3,20-dibenzoate is a potent protein kinase C (PKC) isoform-selective agonist. Ingenol 3,20-dibenzoate induces selective translocation of nPKC-delta, -epsilon, and -theta and PKC-mu from the cytosolic fraction to the particulate fraction and induces morphologically typical apoptosis through de novo synthesis of macromolecules. Ingenol 3,20-dibenzoate increases the IFN-γ production and degranulation by NK cells, especially when NK cells are stimulated by NSCLC cells[1][2]. Ingenol 3,20-dibenzoate is a potent protein kinase C (PKC) isoform-selective agonist. Ingenol 3,20-dibenzoate induces selective translocation of nPKC-delta, -epsilon, and -theta and PKC-mu from the cytosolic fraction to the particulate fraction and induces morphologically typical apoptosis through de novo synthesis of macromolecules. Ingenol 3,20-dibenzoate increases the IFN-γ production and degranulation by NK cells, especially when NK cells are stimulated by NSCLC cells[1][2].
2-O-[6-O-Octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate
Sjg-136
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Glaucarubolone 15-O-beta-D-glucopyranoside
Glaucarubolone 15-O-beta-D-glucopyranoside is found in fats and oils. Glaucarubolone 15-O-beta-D-glucopyranoside is a constituent of Simarouba glauca (aceituno) Constituent of Simarouba glauca (aceituno). Glaucarubolone 15-O-beta-D-glucopyranoside is found in fats and oils.
N-[4-[3-Chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
Fluticasone propimonate
O-Desmethyl Midostaurin
PA(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
PA(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Resolvin D5 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/2:0)
PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/2:0), in particular, consists of one chain of one Resolvin D5 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(2:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
PA(2:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 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(2:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Protectin DX 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/2:0)
PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/2:0), in particular, consists of one chain of one Protectin DX 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).
Lariciresinol-sesquilignan
Lariciresinol-sesquilignan is a member of the class of compounds known as 7,9-epoxylignans. 7,9-epoxylignans are lignans that contain the 7,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. Lariciresinol-sesquilignan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lariciresinol-sesquilignan can be found in sesame, which makes lariciresinol-sesquilignan a potential biomarker for the consumption of this food product.
Aloeresin D
Aloeresin D is a natural product found in Aloe africana, Aloe ferox, and other organisms with data available. Aloeresin D is a chromone glycoside isolated from Aloe vera, inhibits β-Secretase (BACE1) activity, with an IC50 of 39 μM[1]. Aloeresin D is a chromone glycoside isolated from Aloe vera, inhibits β-Secretase (BACE1) activity, with an IC50 of 39 μM[1].
Iryantherin G
8-C-Glucosyl-(2-O-cinnamoyl)-7-O-methylaloediol A
Interiotherin C
A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from Kadsura ananosma and has been shown to exhibit neuroprotective activity.
Iryantherin H
8-C-Glucosyl-(2-O-cinnamoyl)-7-O-methylaloediol B
SSR 69071
CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8076; ORIGINAL_PRECURSOR_SCAN_NO 8073 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8117; ORIGINAL_PRECURSOR_SCAN_NO 8114 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8117; ORIGINAL_PRECURSOR_SCAN_NO 8115 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8152; ORIGINAL_PRECURSOR_SCAN_NO 8150 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8162; ORIGINAL_PRECURSOR_SCAN_NO 8160 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8177; ORIGINAL_PRECURSOR_SCAN_NO 8174
Telacebec
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
23-(R)-photogedunin acetate|alpha-photogedunin acetate|beta-photogedunin acetate
punaglandin 1
ilexin C|methyl (4E)-3-{[(2R,3R,4R,4S)-3,4-dihydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxyspiro[1,3-dioxolane-4,2(1H)-naphthalen]-2-yl]methyl}-4-formylhex-4-enoate
3a,14-dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2h-pyran-5-yl)hexadecahydro-4ah,7ah-11,12a-epoxycyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-15(1h)-one
11beta,12alpha-diacetoxy-1-deoxo-14beta,15beta-epoxy-3beta-hydroxy-2-oxoneotecleanin|11??,12??-Diacetoxy-1-deoxo-14??,15??-epoxy-3??-hydroxy-2-oxo-neotecleanin
6,9-Dihydroxymegastigm-7-en-3-one 9-O-beta-D-glucopyranoside tetraacetate
(-)-(7R,8S,7S,8R)-3,3,5,5-tetramethoxy-4-hydroxy-4,7-epoxy-8,9-dinor-4,8-oxy-8,3-sesquineolignan-7,9,9-triol-7-al
A neolignan isolated from the stems of Sinocalamus affinis.
4-((4-hydroxy-4-((2-hydroxyethoxy)methyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one|selaginellin M
threo-guaiacylglycerol-beta-O-4-lariciresinol ether
5alpha,13alpha,15beta-trihydroxy-16beta-methoxyl-1alpha,6alpha,7beta-triacetoxy-12-oxocassane-14,16-epoxy|neocaesalpin AE
(R,S)-4-{(4-hydroxyphenyl)[4-hydroxy-4-(dimethoxy-methyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl]methylene}cyclohexa-2,5-dienone|selaginellin E
Neoprzewaquinone A
CID 124222343 is a natural product found in Salvia przewalskii with data available.
Asp Glu Phe Phe
Asp Glu Met Tyr
Asp Glu Tyr Met
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Phe Asn Asn Tyr
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Phe Pro Tyr Met
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His His Thr Tyr
His His Tyr Thr
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His Gln Trp Ser
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His Thr His Tyr
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His Thr Tyr His
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His Trp Gln Ser
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Ile Met Met Tyr
Ile Met Tyr Met
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Leu Met Met Tyr
Leu Met Tyr Met
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Met Asp Tyr Glu
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Met Glu Phe Met
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Met Phe Glu Met
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Met Pro Tyr Phe
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Met Tyr Glu Asp
Met Tyr Phe Pro
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Gln His Ser Trp
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Tyr Asp Glu Met
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Tyr Glu Asp Met
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Tyr Phe Met Pro
Tyr Phe Asn Asn
Tyr Phe Pro Met
Tyr His His Thr
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Tyr Ile Met Met
Tyr Leu Met Met
Tyr Met Asp Glu
Tyr Met Glu Asp
Tyr Met Phe Pro
Tyr Met Ile Met
Tyr Met Leu Met
Tyr Met Met Ile
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Tyr Asn Phe Asn
Tyr Asn Asn Phe
Tyr Pro Asp Tyr
Tyr Pro Phe Met
Tyr Pro Met Phe
Tyr Pro Tyr Asp
Tyr Thr His His
Tyr Tyr Asp Pro
Tyr Tyr Pro Asp
Glaucarubolone 15-O-b-D-glucopyranoside
punaglandin 1
ST 30:9;O10
R-3,3-Bis(3,5-bis(methyl)phenyl)-1,1-binaphthyl-2,2-diyl hydrogenphosphate
4-methoxyphenyl 2,4,6-tri-o-benzyl-beta-d-galactopyranoside
SB 224289 hydrochloride
SB-224289 hydrochloride is a selective 5-HT1B receptor antagonist, with anxiolytic effect.
neratinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EH - Human epidermal growth factor receptor 2 (her2) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163760 - HER2-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159156 - HER2 Inhibitor
4-[(4-aminophenyl)methyl]aniline,1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
4-Methoxyphenyl 2,3,6-Tri-O-benzyl-beta-D-galactopyranoside
2-[3-(1,3-Dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1,3-trimethyl-1H-benz[e]indolium perchlorate
N,N-[[5-[2-Amino-5-(2,2-dimethyl-1-oxopropyl)-4-thiazolyl]-2-furanyl]phosphinylidene]bis[2-methylalanine] diethyl ester
Isoprenaline
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
N-(3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methylbenzamide
N-[3-Fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Ananolignan L
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
N-(2-Morpholin-4-YL-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D065100 - CCR5 Receptor Antagonists
2-[(4-Acetylamino-phenyl)-(2-benzotriazol-1-yl-acetyl)-amino]-2-(4-methoxy-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-naphthalen-1-ylquinoline-4-carboxylate
2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
2-[[[(4R,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4R,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
4-chloro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
1-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
2-[[[(4S,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4R,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4R,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
4-chloro-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
4-chloro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
4-chloro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
(1S)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
(2R)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(octanoyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanoic acid
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] pentanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate
[2-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] butanoate
(2R)-3-hydroxy-2-{[6-O-(6-O-octanoyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}propanoic acid
3-vinylbacteriochlorophyllide d
A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-vinylbacteriochlorophyll d.
3-{4-[2-({4-[2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}propanoic acid
(3as,5ar,9r,10as)-9-(benzoyloxy)-8-[(benzoyloxy)methyl]-1-isopropyl-5a-methyl-6-oxo-2h,3h,4h,5h,9h,10h,10ah-cyclohepta[e]indene-3a-carboxylic acid
(6r)-5-hydroxy-6-{5-hydroxy-2,2-dimethyl-8-oxopyrano[3,2-g]chromen-10-yl}-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-6h,7h-pyrano[3,2-g]chromen-2-one
20-(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-10-yl acetate
(9s)-7-{[(2s,5s)-3,4-dimethoxy-4,5,6-trimethyloxan-2-yl]oxy}-1,4,6,9-tetrahydroxy-9,10-dimethyl-8,10-dihydro-7h-tetracene-5,12-dione
(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][(4r,5r)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl propanoate
(1s,2r,4s,8ar)-1-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-2-one
(1s,2r,4s,7s,8s,11r,12r,18s,19r,20s)-20-(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-19-yl acetate
3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-2-yl (3s)-3-methylhexanoate
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 4-(acetyloxy)-2,6,6-trimethylcyclohex-1-ene-1-carboxylate
(8r,9s,10r,11r)-8-(acetyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
(8r,9s,10r,11s)-11-(acetyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate
(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(3s,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)propane-1,3-diol
(1r,3r,7r,12r,14r,15r,16s,17r,20z,22e,24r,25s,28r)-25-hydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19,26-trione
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-[(3z)-hex-3-en-1-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,2s,6s,9r,12r,13r,15r,17s,18r,19r,20r)-20-(acetyloxy)-17-(furan-3-yl)-6-hydroxy-8,8,12,18-tetramethyl-5,11-dioxo-7,14-dioxahexacyclo[10.8.0.0²,⁶.0²,⁹.0¹³,¹⁵.0¹³,¹⁸]icosan-19-yl acetate
(1s,2r,4s,8ar)-1-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
(1s,2s,3r,5r,7r,8r,9s,12r,13r)-3-(acetyloxy)-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-8-yl acetate
methyl (2z)-3-[(1r,2r,4s,7s,8s,10r,12r)-10-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,13,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol a
{"Ingredient_id": "HBIN006212","Ingredient_name": "2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol a","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "556.565","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8543","PubChem_id": "NA","DrugBank_id": "NA"}
2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol b
{"Ingredient_id": "HBIN006213","Ingredient_name": "2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol b","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "556.565","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8542","PubChem_id": "NA","DrugBank_id": "NA"}
aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-)
{"Ingredient_id": "HBIN015307","Ingredient_name": "aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-)","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6993","PubChem_id": "NA","DrugBank_id": "NA"}
aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-),stereoisomer
{"Ingredient_id": "HBIN015308","Ingredient_name": "aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-),stereoisomer","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6992","PubChem_id": "NA","DrugBank_id": "NA"}
amritoside a
{"Ingredient_id": "HBIN015909","Ingredient_name": "amritoside a","Alias": "NA","Ingredient_formula": "C26H36O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1084","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}