Exact Mass: 480.1298
Exact Mass Matches: 480.1298
Found 500 metabolites which its exact mass value is equals to given mass value 480.1298
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paeoniflorin
Paeoniflorin is a terpene glycoside. Peoniflorin is under investigation in clinical trial NCT02878863 (Paeoniflorin Combination of Hepatoprotective Drugs Versus Hepatoprotective Drugs Only for Auto-immune Hepatitis). Paeoniflorin is a natural product found in Paeonia, Paeonia tenuifolia, and other organisms with data available. See also: Paeonia lactiflora root (part of); Paeonia veitchii root (part of); Paeonia X suffruticosa root bark (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].
Albiflorin
Albiflorin is a monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. It has a role as a plant metabolite and a neuroprotective agent. It is a benzoate ester, a gamma-lactone, a beta-D-glucoside, a monoterpene glycoside, a secondary alcohol and a bridged compound. Albiflorin is a natural product found in Paeonia lactiflora, Paeonia delavayi, and other organisms with data available. A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. Albiflorin, a major constituent contained in peony root, is a monoterpene glycoside with neuroprotective effects. Albiflorin also has anti-inflammatory, antioxidant and antinociceptive effects[1][2]. Albiflorin, a major constituent contained in peony root, is a monoterpene glycoside with neuroprotective effects. Albiflorin also has anti-inflammatory, antioxidant and antinociceptive effects[1][2].
BRUCEIN B
Bruceine B is a triterpenoid. Bruceine B is a natural product found in Brucea javanica and Brucea mollis with data available.
Gossypin
A glycosyloxyflavone that is gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. Acquisition and generation of the data is financially supported in part by CREST/JST. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2]. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2].
Cefepime
Cefepime is a fourth-generation cephalosporin antibiotic developed in 1994. Cefepime has an extended spectrum of activity against Gram-positive and Gram-negative bacteria, with greater activity against both Gram-negative and Gram-positive organisms than third-generation agents. Cefepime is usually reserved to treat severe nosocomial pneumonia, infections caused by multi-resistant microorganisms (e.g. Pseudomonas aeruginosa) and empirical treatment of febrile neutropenia. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DE - Fourth-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Blestriarene B
11-o-Galloylbergenin
Cryptocyanine
D004396 - Coloring Agents > D002232 - Carbocyanines
Staphyloferrin A
A D-ornithine derivative obtained by formal condensation of the terminal carboxy groups of two citric acid units with the two amino groups of D-ornithine.
Myricetin 3-galactoside
Myricetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a pentahydroxyflavone and a glycosyloxyflavone. It is functionally related to a beta-D-galactose and a myricetin. Myricetin 3-galactoside is a natural product found in Saxifraga tricuspidata, Kunzea ambigua, and other organisms with data available. Myricetin 3-galactoside is found in allspice. Myricetin 3-galactoside occurs in Thea sinensis (tea) and other plant Occurs in Thea sinensis (tea) and other plants. Myricetin 3-galactoside is found in allspice and tea. A glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3.
Quercetagitrin
Quercetagitrin is isolated from petals of Tagetes erecta (African marigold Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
2,3-Dehydrosilybin
2,3-Dehydrosilybin is found in coffee and coffee products. 2,3-Dehydrosilybin is a constituent of Silybum marianum (milk thistle). Constituent of Silybum marianum (milk thistle). 2,3-Dehydrosilybin is found in coffee and coffee products and green vegetables. D000970 - Antineoplastic Agents D020011 - Protective Agents
3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]-4H-1-benzopyran-4-one
Torachrysone 8-(6-oxalylglucoside)
Torachrysone 8-(6-oxalylglucoside) is found in green vegetables. Torachrysone 8-(6-oxalylglucoside) is a constituent of a Rhei sp. Constituent of a Rhei species Torachrysone 8-(6-oxalylglucoside) is found in green vegetables.
Melledonal C
Melledonal C is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom)
2,3-Dehydrosilychristin
2,3-Dehydrosilychristin is a constituent of the fruit of Silybum marianum anatolicum. Constituent of the fruit of Silybum marianum anatolicum
Myricetin 3'-glucoside
Myricetin 3-glucoside is found in fruits. Myricetin 3-glucoside occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum Occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum). Myricetin 3-glucoside is found in tea and fruits.
4'-O-Methylepicatechin 7-O-glucuronide
4-O-Methylepicatechin 7-O-glucuronide (4ME7G) belongs to the class of organic compounds known as flavonoid-7-O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. 4-O-Methyl-(-)-epicatechin 7-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). (−)-Epicatechin is taken up by Caco-2 cells (i.e. intestinal epithelial cells) and intracellularly metabolized into many products including 4ME7G (PMID: 24717599). 4ME7G is a cocoa metabolite from gut microflora. It has been found in urine.
Quercetin-3'-glucuronide
Quercetin 3-glucuronide is a metabolite of the dietary flavonols found in plasma and urine.
3'-O-Methylepicatechin 7-O-glucuronide
3-O-Methylepicatechin 7-O-glucuronide (3ME7G) belongs to the class of organic compounds known as flavonoid-7-O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. 3-O-Methyl-(-)-epicatechin 7-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). (−)-Epicatechin is taken up by HUVECs (i.e. endothelial cells) and intracellularly metabolized into 3ME7G and 3-O-methylepicatechin 7-O-sulfate (3ME7S) (PMID: 24717599). 3ME7G is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide
4-O-Methyl-(-)-epicatechin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4'-Methylepicatechin 5-glucuronide
(2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methyl-pyrazol-1-yl)-3-pyridyl)methanol
LY2940094 (BTRX-246040) is a potent, selective and orally available nociceptin receptor (NOP receptor) antagonist with high affinity (Ki=0.105 nM) and antagonist potency (Kb=0.166 nM). LY2940094 reduces ethanol self-administration in animal models[1].
Albiflorin
Gossypetin 8-glucoside
Lobeglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
Paeoniflorin
[6-Hydroxy-8-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-4-yl]methyl benzoate
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[[3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-Hydroxy-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
Myricetin 3-glucoside
Myricetin 3-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Myricetin 3-glucoside can be found in a number of food items such as blackcurrant, common grape, highbush blueberry, and tea, which makes myricetin 3-glucoside a potential biomarker for the consumption of these food products.
Quercetagetin 6-glucoside
[1aR-(1aR*,5R*,7R*,10aR*,10bR*)]-2-(Hydroxymethyl)-, 5-(acetyloxy)-8-[(acetyloxy)methyl]-1a,2,3,4,5,6,7,9,10a,10b-decahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester 2-propenoic acid
Zeravschanoside
Blestrin D
Blestrin D is a natural product found in Bletilla striata with data available.
3,5,7,2,3,4-Hexahydroxyflavone 3-glucoside
Ampelopsin 3-methyl ether 4-rhamnoside
Isomyricitrin
Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a plant metabolite. It is a myricetin O-glucoside, a beta-D-glucoside, a monosaccharide derivative and a pentahydroxyflavone. It is functionally related to a beta-D-glucose. It is a conjugate acid of a myricetin 3-O-beta-D-glucopyranoside(1-). myricetin 3-O-beta-D-glucopyranoside is a natural product found in Saxifraga tricuspidata, Libocedrus yateensis, and other organisms with data available. Myricetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.
Quercetagetin 7-glucoside
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate
(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-3-methoxy-3,7,3-trihydroxyflavan
(2S)-5,7,2,5-tetrahydroxy-6-methoxyflavanone 2-O-beta-D-glucopyranoside
(2S,3R)-3,10-dimethoxy-9-O-(5,6-dimethoxy-2-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one
1-(3,5-dimethyl-6-phenylhex-3-enyl)-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-4-methoxy-3,7,4-trihydroxyflavan
(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 3-O-beta-D-glucopyranoside|glochiflavanoside D
5,5-dihydroxy-6-methyl-[6,6-dimethylpyrano(2,3:7,8)]-[2H-4(S),5(R)-dihydroxy-6,6-dimethylpyrano(2,3:4,3)]coumaronochromone|triquetrumone C
(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 7-O-beta-D-glucopyranoside|glochiflavanoside A
3-3Linked-(2-hydroxy-4-hydroxychalcone)-(2-hydroxy-4-hydroxy dihydrochalcone)
7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside
2-hydroxy-3- methyl-glucoside-4-oxo-7-carbonyl-tricyclo [3,2,2,01,2]-nonanyl-benzoicmethoxycarbonyl|Paeoniflorin R1|PL-280
4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside
8-C-glucopyranosyl-7-methoxydihydroflavonol|noidesol A
2,4,8,9,10-pentahydroxy-3,7-dimethoxyanthracene-6-O-alpha-L-rhamnopyranoside
4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,1-biphenanthrene|Monbarbatain B
4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,6-biphenanthrene|Monbarbatain C
6,8-dihydroxykaempferol-3-O-beta-D-glucopyranoside
6-C-glucopyranosyl-4-methoxydihydroflavonol|noidesol B
1-(4-hydroxy-2,5-dimethylphenyl)-6-syringoyl-beta-D-glucopyranose|dunnianoside A
(rel)-1beta,4alpha-di(2,4-dihydroxybenzoyl)-2alpha,3beta-diphenylcyclobutane
5,6,7,3,4,5-hexahydroxyflavone-7-O-beta-D-glucopyranoside
6-methoxy-5-[3-(beta-D-glucopyranosyloxy)-2-hydroxy-3-methylbutyl]angelicin|6-methoxy-5-[3-(beta-glucopyranosyloxy)-2-hydroxy-3-methyl-butyl]-angelicin
4-O-beta-D-(6-O-vanilloylglucopyranosyl)vanillic acid|4-O-??-D-(6-O-Vanilloyl glucopyranosyl) vanillic acid
6-Me ether, 8-O-(6-O-oxalyl-beta-D-glucopyranoside-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside
5-beta(?)-D-Glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-on|5-beta(?)-D-glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-one
(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-(6-O-galloyl)-beta-D-glucopyranoside
(2R,3R)-dihydro-5,7,4-trihydroxy-6-methoxyflavonol-3-O-beta-D-glucopyranoside|undulatoside
2,3-Dehydrosilychristin
4DX1W79Z8Y
Quercetagitrin is a member of flavonoids and a glycoside. Quercetagitrin is a natural product found in Tagetes erecta, Tagetes lucida, and other organisms with data available. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
Cannabiscitrin
Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a myricetin O-glucoside, a pentahydroxyflavone and a member of flavonols. It is functionally related to a beta-D-glucose. Cannabiscitrin is a natural product found in Ribes rubrum, Cannabis sativa, and other organisms with data available. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.
myricetin-3-galactoside
Acquisition and generation of the data is financially supported in part by CREST/JST.
Peoniflorin
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Annotation level-1 Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].
Tetracycline hydrochloride
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Tetracycline (hydrochloride) is a broad-spectrum antibiotic, exhibiting activity against a wide range of gram-positive and gram-negative bacteria.
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl
C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate
C23H28O11_1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)
[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Paeoniflorin
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].
methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_4.0\\%
methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_major
Cys Cys Gln Gln
Cys Asp Asp Glu
Cys Asp Glu Asp
Cys Asp Phe Pro
Cys Asp Pro Phe
Cys Glu Asp Asp
Cys Glu Glu Thr
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Cys Gln Gln Cys
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Asp Glu Ser Met
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Phe Cys Asp Pro
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Phe Asp Cys Pro
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Met Ser Glu Asp
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Asn Cys Met Asn
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Gln Cys Cys Gln
Gln Cys Gln Cys
Gln Gln Cys Cys
Ser Asp Glu Met
Ser Asp Met Glu
Ser Glu Asp Met
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Thr Cys Glu Glu
Thr Asp Asp Met
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Quercetin-3-glucuronide
Quercetagitrin
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
Melledonal C
Torachrysone 8-(6-oxalylglucoside)
2,3-dehydrosilybin
D000970 - Antineoplastic Agents D020011 - Protective Agents
3'-O-Methyl-(-)-epicatechin 7-O-glucuronide
4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide
Methyl (3R,4R,5R)-3,4-dihydroxy-5-({2-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate
Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate
Pinacyanol iodide
D004396 - Coloring Agents > D002232 - Carbocyanines
N,N-BIS(4-CHLOROPHENYL)-N,N-DIPHENYL-1,4-PHENYLENEDIAMINE
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
doxycycline hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
4-Epitetracycline hydrochloride
Epitetracycline hydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23313-80-6 (retrieved 2024-10-30) (CAS RN: 23313-80-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Diammonium [n,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
tributylmethylammonium bis(trifluoromethylsulfonyl)imide
Isopropamide iodide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-alpha-D-glucopyranoside
O-NITROPHENYL BETA-D-GALACTOPYRANOSIDE-6-PHOSPHATE, CYCLOHEXYLAMMONIUM SALT
N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide
Pafuramidine maleate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-(1-benzo[e]benzofuranyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide
4-[5-Chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid
Meclizine hydrochloride
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D018926 - Anti-Allergic Agents
548-75-4
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
myricetin 7-O-beta-D-glucopyranoside
A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 7.
(2r)-2-(2-{[(1r)-1-Carboxy-4-{[(3s)-3,4-Dicarboxy-3-Hydroxybutanoyl]amino}butyl]amino}-2-Oxoethyl)-2-Hydroxybutanedioic Acid
N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5-phosphate(2-)
Rosuvastatin(1-)
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites
15-O-acetylbruceolide
A quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine
2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide
2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide
N,N-dimethyl-4-[[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide
N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
1-(3,4-Dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
17-(3-Methoxyphenyl)-15-methyl-13-(4-nitrophenyl)-1,8,11,13,14-pentaazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2(7),3,5,8,10,12(16),14-heptaen-9-ol
2-[[3-[2-(diethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(phenylmethyl)acetamide
[(1S,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
alpha-Kdo-(2->4)-5,6-dehydro-alpha-Kdo-OAll
A disaccharide derivative consisting of a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit joined via an alpha-(2->4)-linkage to a 5,6-dehydro-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit with an O-allyl group at the anomeric centre.
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
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]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-3-[1-(5-thiazolyl)ethyl]urea
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]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]acetic acid methyl ester
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]acetic acid methyl ester
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]acetic acid methyl ester
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]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]acetic acid methyl ester
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]acetic acid methyl ester
(6R,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone
Yersiniabactin(1-)
A monocarboxylic acid anion that is the conjugate base of yersiniabactin, obtained from the deprotonation of the carboxy group. It is the major species at pH 7.3.
Tetrahydroxy-methoxy-flavanone (dihydrorhamnetin) hexoside
[(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
(4R,4aR,5R,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
cefepime
A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DE - Fourth-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Lobeglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
DM-4107
A 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.
Lorglumide sodium salt
Lorglumide sodium salt (CR-1409 sodium salt) is a potent cholecystokinin (CCK) receptor antagonist[1].
(3r,10ar)-3-chloro-10a-{[(1r,3s)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]oxy}-6,8-dihydroxy-2,2-dimethyl-3h-naphtho[2,3-b]pyran-5,10-dione
7-[(benzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
(2r,7r,7as,7br)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
(1s,3s,4s,5r,6r,7r)-1-[(3e)-3,5-dimethyl-6-phenylhex-3-en-1-yl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
[(1s,2r,3s,5s,6s,8r)-6-hydroxy-8-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1r,2s,3r,5r,6r,8s)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-3-yl]oxy}oxan-2-yl]methyl benzoate
1-(3,5-dimethyl-6-phenylhex-3-en-1-yl)-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
2-[({1-carboxy-4-[(3,4-dicarboxy-1,3-dihydroxybutylidene)amino]butyl}-c-hydroxycarbonimidoyl)methyl]-2-hydroxybutanedioic acid
3,17-dimethyl 10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-3,17-dicarboxylate
2-(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-10,14-dien-12-yl acetate
6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
methyl (1r,2e,4s,6r,7e,9s,10s,11r)-10-{[(2s,3s)-3-(acetyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-2,7-diene-8-carboxylate
6-[(2s)-2-hydroxy-3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-4-methoxyfuro[3,2-g]chromen-7-one
(1s,4ar,5s,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl 4-methoxybenzoate
10-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-1,11-dihydroxy-8-methyltetracene-5,12-dione
2-{[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1s,2s,3r,5s,6r,8s)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-3-yl]oxy}oxan-2-yl]methyl benzoate
2,2'-dimethoxy-9,10-dihydro-[1,1'-biphenanthrene]-4,4',7,7'-tetrol
1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxyphenanthrene-2,7-diol
2,3-dehydro silibinin
{"Ingredient_id": "HBIN003958","Ingredient_name": "2,3-dehydro silibinin","Alias": "NA","Ingredient_formula": "C25H20O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42602","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-3''linked-(2'-hydroxy-4-hydroxychalcone)-(2'''-hydroxy-4 ''-hydroxy dihydrochalcone)
{"Ingredient_id": "HBIN007200","Ingredient_name": "3-3''linked-(2'-hydroxy-4-hydroxychalcone)-(2'''-hydroxy-4 ''-hydroxy dihydrochalcone)","Alias": "NA","Ingredient_formula": "C30H24O6","Ingredient_Smile": "C1=CC=C(C(=C1)C(=O)CCC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C=CC(=O)C4=CC=CC=C4O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12883","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-β-d-(6-o-vanilloyl glucopyranosyl)vanillicacid
{"Ingredient_id": "HBIN010743","Ingredient_name": "4-o-\u03b2-d-(6-o-vanilloyl glucopyranosyl)vanillicacid","Alias": "NA","Ingredient_formula": "C22H24O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22327","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aquaticoside a
{"Ingredient_id": "HBIN016534","Ingredient_name": "aquaticoside a","Alias": "NA","Ingredient_formula": "C23H28O11","Ingredient_Smile": "CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1538","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}