Exact Mass: 480.1678618
Exact Mass Matches: 480.1678618
Found 500 metabolites which its exact mass value is equals to given mass value 480.1678618,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paeoniflorin
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
Bruceine B is a triterpenoid. Bruceine B is a natural product found in Brucea javanica and Brucea mollis with data available.
Blestriarene B
Melledonal C
Melledonal C is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom)
5alpha-Pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate, also known as 5α-pregnan-3β,20α-ylene sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20alpha-diol disulfate is an extremely strong acidic compound (based on its pKa). 5alpha-Pregnan-3beta,20alpha-diol disulfate can be found in feces. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5alpha-Pregnan-3beta,20beta-diol disulfate
5alpha-Pregnan-3beta,20beta-diol disulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20beta-diol disulfate has been identified in the human placenta (PMID: 32033212).
5alpha-Pregnan-3alpha,20beta-diol disulfate
5alpha-Pregnan-3alpha,20beta-diol disulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3alpha,20beta-diol disulfate is possibly neutral. 5alpha-Pregnan-3alpha,20beta-diol disulfate has been identified in the human placenta (PMID: 32033212).
(2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoylcarnitine
C18H32N4O9S (480.18899020000003)
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoylcarnitine is an acylcarnitine. More specifically, it is an (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
[10,13-Dimethyl-17-(1-sulfooxyethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Albiflorin
C23H28O11 (480.16315380000003)
trans-2-(3-Methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
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
(4S,7S,12Br)-7-[[(2R)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
C26H28N2O5S (480.17188380000005)
Paeoniflorin
C23H28O11 (480.16315380000003)
[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
C23H28O11 (480.16315380000003)
4-Hydroxy-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
[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
C23H28O11 (480.16315380000003)
Blestrin D
Blestrin D is a natural product found in Bletilla striata with data available.
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-3-methoxy-3,7,3-trihydroxyflavan
C23H28O11 (480.16315380000003)
(aS)-(5R,7R)-5,6,7,8-tetrahydro-13,14-dimethoxy-7-methyl-6-methylene-1,3-benzodioxolo[5,6:3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl (2Z)-2-methylbut-enoate|schisandrene A
1-(3,5-dimethyl-6-phenylhex-3-enyl)-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
C23H28O11 (480.16315380000003)
(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-4-methoxy-3,7,4-trihydroxyflavan
C23H28O11 (480.16315380000003)
(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 3-O-beta-D-glucopyranoside|glochiflavanoside D
C23H28O11 (480.16315380000003)
(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 7-O-beta-D-glucopyranoside|glochiflavanoside A
C23H28O11 (480.16315380000003)
3-3Linked-(2-hydroxy-4-hydroxychalcone)-(2-hydroxy-4-hydroxy dihydrochalcone)
2-hydroxy-3- methyl-glucoside-4-oxo-7-carbonyl-tricyclo [3,2,2,01,2]-nonanyl-benzoicmethoxycarbonyl|Paeoniflorin R1|PL-280
C23H28O11 (480.16315380000003)
2-Hydroxy-5-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-4,6-dimethylbenzoic acid 3-hydroxy-2,4,5-trimethylphenyl ester
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
1-(4-hydroxy-2,5-dimethylphenyl)-6-syringoyl-beta-D-glucopyranose|dunnianoside A
C23H28O11 (480.16315380000003)
4-[[4-hydroxy-3-[2-(4-hydroxyphenyl)ethynyl][1,1-biphenyl]-2-yl](4-methoxyphenyl)methylene]-2,5-cyclohexadien-1-one|selaginellin N
(rel)-1beta,4alpha-di(2,4-dihydroxybenzoyl)-2alpha,3beta-diphenylcyclobutane
6-methoxy-5-[3-(beta-D-glucopyranosyloxy)-2-hydroxy-3-methylbutyl]angelicin|6-methoxy-5-[3-(beta-glucopyranosyloxy)-2-hydroxy-3-methyl-butyl]-angelicin
C23H28O11 (480.16315380000003)
8-Acetyl-15-beta-D-glucopyranosyllactucin
C23H28O11 (480.16315380000003)
(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-(6-O-galloyl)-beta-D-glucopyranoside
C23H28O11 (480.16315380000003)
Phe Asp Ala Glu
C21H28N4O9 (480.18561980000004)
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)heptan-1-imine
Peoniflorin
C23H28O11 (480.16315380000003)
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].
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 (480.16315380000003)
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 (480.16315380000003)
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)
C23H28O11 (480.16315380000003)
[(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
C23H28O11 (480.16315380000003)
[3-(13-methyltetradecyl)-5-sulfooxyphenyl] hydrogen sulfate
Paeoniflorin
C23H28O11 (480.16315380000003)
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\\%
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
Ala Asp Glu Phe
C21H28N4O9 (480.18561980000004)
Ala Asp Phe Glu
C21H28N4O9 (480.18561980000004)
Ala Glu Asp Phe
C21H28N4O9 (480.18561980000004)
Ala Glu Phe Asp
C21H28N4O9 (480.18561980000004)
Ala Glu Met Met
Ala Phe Asp Glu
C21H28N4O9 (480.18561980000004)
Ala Phe Glu Asp
C21H28N4O9 (480.18561980000004)
Ala Met Glu Met
Ala Met Met Glu
Cys Cys Lys Gln
Cys Cys Gln Lys
Cys Asp Phe Pro
Cys Asp Ile Met
Cys Asp Leu Met
Cys Asp Met Ile
Cys Asp Met Leu
Cys Asp Pro Phe
Cys Glu Glu Thr
C17H28N4O10S (480.15260680000006)
Cys Glu Met Val
Cys Glu Thr Glu
C17H28N4O10S (480.15260680000006)
Cys Glu Val Met
Cys Phe Asp Pro
Cys Phe Pro Asp
Cys Ile Asp Met
Cys Ile Met Asp
Cys Lys Cys Gln
Cys Lys Gln Cys
Cys Leu Asp Met
Cys Leu Met Asp
Cys Met Asp Ile
Cys Met Asp Leu
Cys Met Glu Val
Cys Met Ile Asp
Cys Met Leu Asp
Cys Met Met Pro
C18H32N4O5S3 (480.15347420000006)
Cys Met Pro Met
C18H32N4O5S3 (480.15347420000006)
Cys Met Val Glu
Cys Pro Asp Phe
Cys Pro Phe Asp
Cys Pro Met Met
C18H32N4O5S3 (480.15347420000006)
Cys Gln Cys Lys
Cys Gln Lys Cys
Cys Thr Glu Glu
C17H28N4O10S (480.15260680000006)
Cys Val Glu Met
Cys Val Met Glu
Asp Ala Glu Phe
C21H28N4O9 (480.18561980000004)
Asp Ala Phe Glu
C21H28N4O9 (480.18561980000004)
Asp Cys Phe Pro
Asp Cys Ile Met
Asp Cys Leu Met
Asp Cys Met Ile
Asp Cys Met Leu
Asp Cys Pro Phe
Asp Asp Met Thr
C17H28N4O10S (480.15260680000006)
Asp Asp Thr Met
C17H28N4O10S (480.15260680000006)
Asp Glu Ala Phe
C21H28N4O9 (480.18561980000004)
Asp Glu Phe Ala
C21H28N4O9 (480.18561980000004)
Asp Glu Met Ser
C17H28N4O10S (480.15260680000006)
Asp Glu Ser Met
C17H28N4O10S (480.15260680000006)
Asp Phe Ala Glu
C21H28N4O9 (480.18561980000004)
Asp Phe Cys Pro
Asp Phe Glu Ala
C21H28N4O9 (480.18561980000004)
Asp Phe Pro Cys
Asp Ile Cys Met
Asp Ile Met Cys
Asp Leu Cys Met
Asp Leu Met Cys
Asp Met Cys Ile
Asp Met Cys Leu
Asp Met Asp Thr
C17H28N4O10S (480.15260680000006)
Asp Met Glu Ser
C17H28N4O10S (480.15260680000006)
Asp Met Ile Cys
Asp Met Leu Cys
Asp Met Ser Glu
C17H28N4O10S (480.15260680000006)
Asp Met Thr Asp
C17H28N4O10S (480.15260680000006)
Asp Pro Cys Phe
Asp Pro Phe Cys
Asp Pro Ser Tyr
C21H28N4O9 (480.18561980000004)
Asp Pro Tyr Ser
C21H28N4O9 (480.18561980000004)
Asp Ser Glu Met
C17H28N4O10S (480.15260680000006)
Asp Ser Met Glu
C17H28N4O10S (480.15260680000006)
Asp Ser Pro Tyr
C21H28N4O9 (480.18561980000004)
Asp Ser Tyr Pro
C21H28N4O9 (480.18561980000004)
Asp Thr Asp Met
C17H28N4O10S (480.15260680000006)
Asp Thr Met Asp
C17H28N4O10S (480.15260680000006)
Asp Tyr Pro Ser
C21H28N4O9 (480.18561980000004)
Asp Tyr Ser Pro
C21H28N4O9 (480.18561980000004)
Glu Ala Asp Phe
C21H28N4O9 (480.18561980000004)
Glu Ala Phe Asp
C21H28N4O9 (480.18561980000004)
Glu Ala Met Met
Glu Cys Glu Thr
C17H28N4O10S (480.15260680000006)
Glu Cys Met Val
Glu Cys Thr Glu
C17H28N4O10S (480.15260680000006)
Glu Cys Val Met
Glu Asp Ala Phe
C21H28N4O9 (480.18561980000004)
Glu Asp Phe Ala
C21H28N4O9 (480.18561980000004)
Glu Asp Met Ser
C17H28N4O10S (480.15260680000006)
Glu Asp Ser Met
C17H28N4O10S (480.15260680000006)
Glu Glu Cys Thr
C17H28N4O10S (480.15260680000006)
Glu Glu Phe Gly
C21H28N4O9 (480.18561980000004)
Glu Glu Gly Phe
C21H28N4O9 (480.18561980000004)
Glu Glu Thr Cys
C17H28N4O10S (480.15260680000006)
Glu Phe Ala Asp
C21H28N4O9 (480.18561980000004)
Glu Phe Asp Ala
C21H28N4O9 (480.18561980000004)
Glu Phe Glu Gly
C21H28N4O9 (480.18561980000004)
Glu Phe Gly Glu
C21H28N4O9 (480.18561980000004)
Glu Gly Glu Phe
C21H28N4O9 (480.18561980000004)
Glu Gly Phe Glu
C21H28N4O9 (480.18561980000004)
Glu Met Ala Met
Glu Met Cys Val
Glu Met Asp Ser
C17H28N4O10S (480.15260680000006)
Glu Met Met Ala
Glu Met Ser Asp
C17H28N4O10S (480.15260680000006)
Glu Met Thr Thr
C18H32N4O9S (480.18899020000003)
Glu Met Val Cys
Glu Ser Asp Met
C17H28N4O10S (480.15260680000006)
Glu Ser Met Asp
C17H28N4O10S (480.15260680000006)
Glu Thr Cys Glu
C17H28N4O10S (480.15260680000006)
Glu Thr Glu Cys
C17H28N4O10S (480.15260680000006)
Glu Thr Met Thr
C18H32N4O9S (480.18899020000003)
Glu Thr Thr Met
C18H32N4O9S (480.18899020000003)
Glu Val Cys Met
Glu Val Met Cys
Phe Ala Asp Glu
C21H28N4O9 (480.18561980000004)
Phe Ala Glu Asp
C21H28N4O9 (480.18561980000004)
Phe Cys Asp Pro
Phe Cys Pro Asp
Phe Asp Cys Pro
Phe Asp Glu Ala
C21H28N4O9 (480.18561980000004)
Phe Asp Pro Cys
Phe Glu Ala Asp
C21H28N4O9 (480.18561980000004)
Phe Glu Asp Ala
C21H28N4O9 (480.18561980000004)
Phe Glu Glu Gly
C21H28N4O9 (480.18561980000004)
Phe Glu Gly Glu
C21H28N4O9 (480.18561980000004)
Phe Gly Glu Glu
C21H28N4O9 (480.18561980000004)
Phe Pro Cys Asp
Phe Pro Asp Cys
Gly Glu Glu Phe
C21H28N4O9 (480.18561980000004)
Gly Glu Phe Glu
C21H28N4O9 (480.18561980000004)
Gly Phe Glu Glu
C21H28N4O9 (480.18561980000004)
Ile Cys Asp Met
Ile Cys Met Asp
Ile Asp Cys Met
Ile Asp Met Cys
Ile Met Cys Asp
Ile Met Asp Cys
Lys Cys Cys Gln
Lys Cys Gln Cys
Lys Gln Cys Cys
Leu Cys Asp Met
Leu Cys Met Asp
Leu Asp Cys Met
Leu Asp Met Cys
Leu Met Cys Asp
Leu Met Asp Cys
Met Ala Glu Met
Met Ala Met Glu
Met Cys Asp Ile
Met Cys Asp Leu
Met Cys Glu Val
Met Cys Ile Asp
Met Cys Leu Asp
Met Cys Met Pro
C18H32N4O5S3 (480.15347420000006)
Met Cys Pro Met
C18H32N4O5S3 (480.15347420000006)
Met Cys Val Glu
Met Asp Cys Ile
Met Asp Cys Leu
Met Asp Asp Thr
C17H28N4O10S (480.15260680000006)
Met Asp Glu Ser
C17H28N4O10S (480.15260680000006)
Met Asp Ile Cys
Met Asp Leu Cys
Met Asp Ser Glu
C17H28N4O10S (480.15260680000006)
Met Asp Thr Asp
C17H28N4O10S (480.15260680000006)
Met Glu Ala Met
Met Glu Cys Val
Met Glu Asp Ser
C17H28N4O10S (480.15260680000006)
Met Glu Met Ala
Met Glu Ser Asp
C17H28N4O10S (480.15260680000006)
Met Glu Thr Thr
C18H32N4O9S (480.18899020000003)
Met Glu Val Cys
Met Ile Cys Asp
Met Ile Asp Cys
Met Leu Cys Asp
Met Leu Asp Cys
Met Met Ala Glu
Met Met Cys Pro
C18H32N4O5S3 (480.15347420000006)
Met Met Glu Ala
Met Met Pro Cys
C18H32N4O5S3 (480.15347420000006)
Met Pro Cys Met
C18H32N4O5S3 (480.15347420000006)
Met Pro Met Cys
C18H32N4O5S3 (480.15347420000006)
Met Ser Asp Glu
C17H28N4O10S (480.15260680000006)
Met Ser Glu Asp
C17H28N4O10S (480.15260680000006)
Met Thr Asp Asp
C17H28N4O10S (480.15260680000006)
Met Thr Glu Thr
C18H32N4O9S (480.18899020000003)
Met Thr Thr Glu
C18H32N4O9S (480.18899020000003)
Met Val Cys Glu
Met Val Glu Cys
Pro Cys Asp Phe
Pro Cys Phe Asp
Pro Cys Met Met
C18H32N4O5S3 (480.15347420000006)
Pro Asp Cys Phe
Pro Asp Phe Cys
Pro Asp Ser Tyr
C21H28N4O9 (480.18561980000004)
Pro Asp Tyr Ser
C21H28N4O9 (480.18561980000004)
Pro Phe Cys Asp
Pro Phe Asp Cys
Pro Met Cys Met
C18H32N4O5S3 (480.15347420000006)
Pro Met Met Cys
C18H32N4O5S3 (480.15347420000006)
Pro Ser Asp Tyr
C21H28N4O9 (480.18561980000004)
Pro Ser Tyr Asp
C21H28N4O9 (480.18561980000004)
Pro Tyr Asp Ser
C21H28N4O9 (480.18561980000004)
Pro Tyr Ser Asp
C21H28N4O9 (480.18561980000004)
Gln Cys Cys Lys
Gln Cys Lys Cys
Gln Lys Cys Cys
Ser Asp Glu Met
C17H28N4O10S (480.15260680000006)
Ser Asp Met Glu
C17H28N4O10S (480.15260680000006)
Ser Asp Pro Tyr
C21H28N4O9 (480.18561980000004)
Ser Asp Tyr Pro
C21H28N4O9 (480.18561980000004)
Ser Glu Asp Met
C17H28N4O10S (480.15260680000006)
Ser Glu Met Asp
C17H28N4O10S (480.15260680000006)
Ser Met Asp Glu
C17H28N4O10S (480.15260680000006)
Ser Met Glu Asp
C17H28N4O10S (480.15260680000006)
Ser Pro Asp Tyr
C21H28N4O9 (480.18561980000004)
Ser Pro Tyr Asp
C21H28N4O9 (480.18561980000004)
Ser Tyr Asp Pro
C21H28N4O9 (480.18561980000004)
Ser Tyr Pro Asp
C21H28N4O9 (480.18561980000004)
Thr Cys Glu Glu
C17H28N4O10S (480.15260680000006)
Thr Asp Asp Met
C17H28N4O10S (480.15260680000006)
Thr Asp Met Asp
C17H28N4O10S (480.15260680000006)
Thr Glu Cys Glu
C17H28N4O10S (480.15260680000006)
Thr Glu Glu Cys
C17H28N4O10S (480.15260680000006)
Thr Glu Met Thr
C18H32N4O9S (480.18899020000003)
Thr Glu Thr Met
C18H32N4O9S (480.18899020000003)
Thr Met Asp Asp
C17H28N4O10S (480.15260680000006)
Thr Met Glu Thr
C18H32N4O9S (480.18899020000003)
Thr Met Thr Glu
C18H32N4O9S (480.18899020000003)
Thr Thr Glu Met
C18H32N4O9S (480.18899020000003)
Thr Thr Met Glu
C18H32N4O9S (480.18899020000003)
Val Cys Glu Met
Val Cys Met Glu
Val Glu Cys Met
Val Glu Met Cys
Val Met Cys Glu
Val Met Glu Cys
Tyr Asp Pro Ser
C21H28N4O9 (480.18561980000004)
Tyr Asp Ser Pro
C21H28N4O9 (480.18561980000004)
Tyr Pro Asp Ser
C21H28N4O9 (480.18561980000004)
Tyr Pro Ser Asp
C21H28N4O9 (480.18561980000004)
Tyr Ser Asp Pro
C21H28N4O9 (480.18561980000004)
Tyr Ser Pro Asp
C21H28N4O9 (480.18561980000004)
Pranlukast
C27H22N5O4 (480.16717120000004)
Tyr-TyrMe-OH
C25H24N2O8 (480.15325839999997)
TyrMe-Tyr-OH
C25H24N2O8 (480.15325839999997)
Melledonal C
Methyl (3R,4R,5R)-3,4-dihydroxy-5-({2-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate
C23H28O11 (480.16315380000003)
Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate
C23H28O11 (480.16315380000003)
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
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
C18H29N2O11P (480.15088940000004)
2-(4-Chloro-3-(3-(1-hydroxycycloheptyl)propanoyl)phenyl)-4-((2R)-2-hydroxy-3-methoxy-propyl)-1,2,4-triazine-3,5-dione
CE-224535 is a selective P2X7 receptor antagonist.
Pafuramidine maleate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
C18H40O7Si4 (480.18510100000003)
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
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(6-methylsulfanylhexyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoylcarnitine
C18H32N4O9S (480.18899020000003)
7-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
C26H28N2O5S (480.17188380000005)
Rosuvastatin(1-)
C22H27FN3O6S- (480.16045140000006)
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites
6-amino-1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
15-O-acetylbruceolide
C23H28O11 (480.16315380000003)
A quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
4-[4-Oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester
C25H28N4O4S (480.18311680000005)
2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide
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
7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
C25H28N4O4S (480.18311680000005)
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
C23H28O11 (480.16315380000003)
S-(6Z-octenoyl)-4-phosphopantetheine
C19H33N2O8PS-2 (480.16951480000006)
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
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-propyl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C25H28N4O4S (480.18311680000005)
1-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-3-[1-(5-thiazolyl)ethyl]urea
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-propyl-N-(2-thiazolyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C25H28N4O4S (480.18311680000005)
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
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
(20R)-5alpha-pregnane-3,20-diyl bis(hydrogen sulfate)
(2S,3R,4S)-3-ethenyl-4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]ethenyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
[(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
C23H28O11 (480.16315380000003)
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
Pregnane-3,20-diol 3,20-disulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Lorglumide sodium salt
Lorglumide sodium salt (CR-1409 sodium salt) is a potent cholecystokinin (CCK) receptor antagonist[1].
(11r,13r)-3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(22),2(10),3,8,15,17(21)-hexaen-11-yl (2z)-2-methylbut-2-enoate
n-[(2s,3r,4r,6r)-3,16-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl]ethanimidic acid
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
(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
C23H28O11 (480.16315380000003)
[(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
C23H28O11 (480.16315380000003)
[(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
C23H28O11 (480.16315380000003)
(4s,5r,6r)-18-hydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
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
C23H28O11 (480.16315380000003)
(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
C23H28O11 (480.16315380000003)
(2s)-3-hydroxy-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}-2-({4-methoxy-9h-pyrido[3,4-b]indol-1-yl}methyl)propan-1-one
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
C23H28O11 (480.16315380000003)
[(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
C23H28O11 (480.16315380000003)
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
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"}
aquaticoside a
C23H28O11 (480.16315380000003)
{"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"}
(1s,4as,6s,7s,7as)-1-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H28O11 (480.16315380000003)
2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
1-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H28O11 (480.16315380000003)
(1s,2s,3s,4r,7r,8s,10e,12r,13r,17r)-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
(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r)-2-phenyl-3,4-dihydro-2h-1-benzopyran-3-yl]-2,3-dihydro-1-benzopyran-4-one
[(1s,3s,4r,6r,9r)-4-hydroxy-6-methyl-8-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]methyl benzoate
C23H28O11 (480.16315380000003)
(2s,3r,4s,5s,6r)-2-{[(2r,3s)-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
C23H28O11 (480.16315380000003)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-2-isopropyl-5-methylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(2-phenyl-3,4-dihydro-2h-1-benzopyran-3-yl)-2,3-dihydro-1-benzopyran-4-one
(1s,2r,4r,8r,10s)-8-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-(hydroxymethyl)prop-2-enoate
C23H28O11 (480.16315380000003)
2,7'-dimethoxy-9',10'-dihydro-[1,3'-biphenanthrene]-2',4,5',7-tetrol
[(2r,3s,4s)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
4-({4'-hydroxy-3-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-[1,1'-biphenyl]-2-yl}(phenyl)methylidene)cyclohexa-2,5-dien-1-one
(2r,3s,4s,5r)-1,6-bis(acetyloxy)-3,4-dihydroxy-5-[(2-isocyano-3-methylbut-2-enoyl)oxy]hexan-2-yl 2-isocyano-3-methylbut-2-enoate
5-[(2s)-2-hydroxy-3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-6-methoxyfuro[2,3-h]chromen-2-one
C23H28O11 (480.16315380000003)
(2s,3r,4s,5s,6r)-2-{[(2r,3r)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
n-{3,16-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl}ethanimidic acid
(1s,2s,3r,4r,7r,8s,10z,12s,13s,17r)-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
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(4-hydroxy-2-isopropyl-5-methylphenoxy)-6-(hydroxymethyl)oxan-4-yl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
(2r,2as,4as,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
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
6-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-4-methoxyfuro[3,2-g]chromen-7-one
C23H28O11 (480.16315380000003)
2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
[3,4,5-trihydroxy-6-(4-hydroxy-2-isopropyl-5-methylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-[(2s)-2-hydroxypropoxy]-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
3,17-dimethyl (1r,2r,3s,6r,8r,13s,14r,15r,16s)-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
C23H28O11 (480.16315380000003)
methyl (1s,2r,4s,5r,7e,9r,10s,11r)-9-(acetyloxy)-10-[(2s,3s)-2,3-dimethyloxirane-2-carbonyloxy]-5-hydroxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-ene-8-carboxylate
C23H28O11 (480.16315380000003)
7-(acetyloxy)-13-chloro-2-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxapentacyclo[9.6.1.0¹,¹⁴.0²,⁹.0³,⁸]octadec-4-en-9-yl acetate
[2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl benzoate
C23H28O11 (480.16315380000003)
[(1r,3r,4r,6s,9s)-4-hydroxy-6-methyl-8-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]methyl benzoate
C23H28O11 (480.16315380000003)
3,3'-dimethoxy-9,10-dihydro-[1,1'-biphenanthrene]-4,4',7,7'-tetrol
3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl 3-(acetyloxy)-2,4-dimethylhex-4-enoate
(1s,4ar,6s,7r,7ar)-4-formyl-4a-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl benzoate
C23H28O11 (480.16315380000003)
(2r,4r,5r,6s)-18-hydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
[3-(13-methyltetradecyl)-5-(sulfooxy)phenyl]oxidanesulfonic acid
(3-hydroxy-4-methyl-8-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxatricyclo[4.2.1.0³,⁹]nonan-9-yl)methyl benzoate
C23H28O11 (480.16315380000003)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2r,4s,5s,6r,10s)-2-(hydroxymethyl)-5-{[(1e)-2-(4-hydroxyphenyl)ethenyl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
2-{[3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
3-hydroxy-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}-2-({4-methoxy-9h-pyrido[3,4-b]indol-1-yl}methyl)propan-1-one
3,5-dihydroxy-2-(4-hydroxy-2-isopropyl-5-methylphenoxy)-6-(hydroxymethyl)oxan-4-yl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
methyl (1r,3r,8r,13s,14r,15r,16s,17s)-3-(acetyloxy)-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-17-carboxylate
C23H28O11 (480.16315380000003)
3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(22),2(10),3,8,15,17(21)-hexaen-11-yl 2-methylbut-2-enoate
methyl 3-(acetyloxy)-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-17-carboxylate
C23H28O11 (480.16315380000003)
(3r)-4-hydroxy-1,3-bis({4-methoxy-9h-pyrido[3,4-b]indol-1-yl})butan-1-one
3-hydroxy-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}-2-({4-methoxy-9h-pyrido[3,4-b]indol-8-yl}methyl)propan-1-one
methyl (1s,2r,4r,5r,7e,9r,10s,11r)-9-(acetyloxy)-10-[(2r,3r)-2,3-dimethyloxirane-2-carbonyloxy]-5-hydroxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-ene-8-carboxylate
C23H28O11 (480.16315380000003)
methyl 9-(acetyloxy)-10-(2,3-dimethyloxirane-2-carbonyloxy)-5-hydroxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-ene-8-carboxylate
C23H28O11 (480.16315380000003)
5-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6-methoxyfuro[2,3-h]chromen-2-one
C23H28O11 (480.16315380000003)
(2s,3r,4s,5s,6r)-2-{[(2r,3r)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
n-[(2s,3r,4s)-3,16-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl]ethanimidic acid
(3ar,4s,9as,9br)-6-methyl-3-methylidene-2,7-dioxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
C23H28O11 (480.16315380000003)
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl 4-methoxybenzoate
C23H28O11 (480.16315380000003)
[3-(11-methyltetradecyl)-5-(sulfooxy)phenyl]oxidanesulfonic acid
methyl 3-(acetyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
C23H28O11 (480.16315380000003)
10-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-7,9-dimethoxy-3-methyl-1h,3h-naphtho[2,3-c]pyran-4-one
C23H28O11 (480.16315380000003)
(2s,4s,5r,6r)-18-hydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
(2r,3r,4s,5s,6r)-2-{[(2r,3s)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
(1s,4as,7s,7as)-7-[(benzoyloxy)methyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H28O11 (480.16315380000003)
[(1r,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
C23H28O11 (480.16315380000003)
3-hydroxy-2,4,5-trimethylphenyl 3-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-6-hydroxy-2,4-dimethylbenzoate
(1s,4as,6s,7r,7as)-6-(benzoyloxy)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H28O11 (480.16315380000003)
(3,4,5-trihydroxy-6-{[4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
C23H28O11 (480.16315380000003)
1-[(7-hydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxyphenanthrene-2,7-diol
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl)methyl 4-methoxybenzoate
C23H28O11 (480.16315380000003)
[(1r,3r,4r,6s,9s)-4-hydroxy-6-methyl-8-oxo-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]methyl benzoate
C23H28O11 (480.16315380000003)
3-hydroxy-2,5,6-trimethylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
8-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-(hydroxymethyl)prop-2-enoate
C23H28O11 (480.16315380000003)
(2r,3r,4s,5s,6r)-2-{[(3r)-6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
2-{[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H28O11 (480.16315380000003)
(3,4,5-trihydroxy-6-{[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
C23H28O11 (480.16315380000003)
6-(benzoyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H28O11 (480.16315380000003)
(3r,4ar,10as)-3,4a-dichloro-10a-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
[3-pentadecyl-5-(sulfooxy)phenyl]oxidanesulfonic acid
(2r,2as,4ar,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
[(1r,2s,4r,6r,7r,10s,11r,14s,16s)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxidanesulfonic acid
10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-7,9-dimethoxy-3-methyl-1h,3h-naphtho[2,3-c]pyran-4-one
C23H28O11 (480.16315380000003)
methyl 10-{[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
C23H28O11 (480.16315380000003)