Exact Mass: 502.3195
Exact Mass Matches: 502.3195
Found 500 metabolites which its exact mass value is equals to given mass value 502.3195
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
GW7647 is a potent PPARα agonist, with EC50s of 6 nM, 1.1 μM, and 6.2 μM for human PPARα, PPARγ and PPARδ, respectively.
Medicagenic acid
Aglycone from the roots of Medicago sativa (alfalfa), other Medicago subspecies Medicagenic acid is found in cereals and cereal products. Medicagenic acid is found in cereals and cereal products. Aglycone from the roots of Medicago sativa (alfalfa), other Medicago specie Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2]. Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].
Ganolucidic acid B
Ganolucidic acid B is found in mushrooms. Ganolucidic acid B is a constituent of Ganoderma lucidum (reishi) Constituent of Ganoderma lucidum (reishi). Ganolucidic acid B is found in mushrooms.
Esculentic acid (Phytolacca)
Esculentic acid (Phytolacca) is found in fruits. Esculentic acid (Phytolacca) is isolated from Phytolacca americana (pokeberry Isolated from Phytolacca americana (pokeberry). Esculentic acid (Phytolacca) is found in fruits and green vegetables.
22-Deoxocucurbitacin D
22-Deoxocucurbitacin D is found in green vegetables. 22-Deoxocucurbitacin D is a constituent of Lagenaria siceraria (bottle gourd) Constituent of Lagenaria siceraria (bottle gourd). 22-Deoxocucurbitacin D is found in green vegetables.
22-Deoxoisocucurbitacin D
22-Deoxoisocucurbitacin D is found in green vegetables. 22-Deoxoisocucurbitacin D is a constituent of Lagenaria siceraria (bottle gourd) Constituent of Lagenaria siceraria (bottle gourd). 22-Deoxoisocucurbitacin D is found in green vegetables.
Ilexgenin A
Medicagenic
Medicagenic acid is a triterpenoid. Medicagenic acid is a natural product found in Gladiolus italicus, Trigonella calliceras, and other organisms with data available. Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2]. Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].
1beta,2alpha,3alpha,24-tetrahydroxyursa-12,20(30)-dien-28-oic acid
ilexgeninA
Ilexgenin A is a natural product found in Quercus aliena and Ilex pubescens with data available. Ilexgenin A is a pentacyclic triterpenoid, which extracted from Ilex hainanensis Merr. Ilexgenin A can be used for the research of inflammation and cancer[1]. Ilexgenin A is a pentacyclic triterpenoid, which extracted from Ilex hainanensis Merr. Ilexgenin A can be used for the research of inflammation and cancer[1].
1beta,2alpha,19alpha-Trihydroxy-3-oxo-12-ursen-28-oic acid
3beta-3,23-Dihydroxy-20(29)-lupene-27,28-dioic acid
2,25-epoxy-2alpha,3beta,19alpha-trihydroxyurs-12-en-28-oic acid|cuneataol
3beta,20beta,21beta-trihydroxy-16-oxoserrat-14-en-24-oic acid
2-(3-hydroxy-3-methylbutyl)-3,4-(2-alpha-hydroxyisopropyldihydrofurano)-6-(1-oxopropyl)-8-prenyl-8beta-H-cis-bicyclo[3.3.1]non-2-en-1,5-dione|garcinielliptone C
(2beta,16alpha,20R,22?鈥?-form-2,16,20,22-Tetrahydroxy-5,24-cucurbitadiene-3,11-dione
Petuniasterone B|Petuniasterone B ( (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha,22-dihydroxyergost-4-en-3-one )|Petuniasterone B < (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha,22-dihydroxyergost-4-en-3-one >
2alpha,3beta,6beta,23-tetrahydroxyursa-12,20(30)-dien-28-oic acid
6beta,19alpha,22alpha-trihydroxyurs-12-en-3-oxo-28-oic acid
(1S,5aR,7aR,7bR,9aR,10S,11S,13aS,15bR)-1,5a,6,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-hexadecahydro-1,10,11-trihydroxy-5,5,7a,7b,9a,12,12,15b-octamethylchryseno[2,1-c]oxepine-3,7(2H,5H)-dione
11alpha-acetoxy-22-hydroxy-3-oxocholest-4-en-26-oate
1-Hydroxy-2-oxopomolic acid
2alpha,3beta,23-trihydroxy-11alpha,12alpha-epoxyolean-28,13beta-olide
3beta,19alpha,23-trihydroxy-6-oxo-olean-12-en-28-oic acid|3??,19??,23-Trihydroxy-6-oxo-olean-12-en-28-oic acid
3beta,19alpha-dihydroxy-6-oxo-urs-12-en-23-ol-28-oic acid|3??,19??-Dihydroxy-6-oxo-urs-12-en-23-ol-28-oic acid
21R,23R-epoxy-7alpha,24S,25-trihydroxy-21alpha-methoxyapotirucalla-1,14-dien-3-one|holstinone C
2beta,3beta,16alpha-trihydroxy-24alpha-formyl-olean-12-en-28-oic acid
1alpha,2alpha,3beta,24-tetrahydroxyursa-12,20(30)-dien-28-oic acid
(12beta,15alpha,23R,24S)-12,15,25-trihydroxy-16,23:16,24-diepoxy-9,19-cyclolanostan-3-one|(4aR,5aS,7aR,7bR,11R,12aS,13R,13aS)-13-hydroxy-11-(2-hydroxypropan-2-yl)-1,1,7a,8,13a-pentamethylhexadecahydro-10,12a-epoxycyclopropa[1,8a]naphtho[2,1:4,5]indeno[2,1-b]oxepin-2(1H)-one|12-beta-hydrocimigenol-3-one|12beta-hydroxycimigenol-3-one
3alpha,21beta,29-trihydroxy-16-oxoserrat-14-en-24-oic acid
22,25-epoxyholost-9(11)-ene-3beta,12alpha,17alpha-triol
3-oxo-15alpha,16alpha,21beta,22alpha,28-pentahydroxy-Delta1,12-oleanane
23-Carboxylix acid-(3alpha,11alpha)-3,11,23-Trihydroxy-20(29)-lupen-28-oic acid
2alpha,3beta,24-trihydroxy-11alpha,12alpha-epoxyurs-28,13beta-olide
12beta-hydrocimigenol-7(8)-en|12beta-hydroxy-7(8)-en-cimigenol
3beta,19alpha,23-trihydroxyurs-12-en-24-al-28-oic acid
2alpha,3alpha,19alpha,23-tetrahydroxyurs-12,20(30)-dien-28-oic acid
3beta,19alpha,23-trihydroxy-2-oxo-12-ursen-28-oic acid|cymosic acid
8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol
(2alpha,19alpha)-2,19,24-trihydroxy-3-oxoolean-12-en-28-oic acid|2alpha,19alpha,24-trihydroxy-3-oxoolean-12-en-28-oic acid|3-oxo-2alpha,19alpha,24-trihydroxyolean-12-en-28-oic acid|ivorengenin A
3beta,25-epoxy-3alpha,22beta,23alpha-trihydroxyolean-12-en-28-oic acid
(3E,4S,5R)-5-(3,4-dihydroxyphenyl)-4,5-dihydro-4-hydroxy-3-[2-(1-methylethyl)-16-oxoheptadecylidene]furan-2(3H)-one|litsealactone G
3beta,15alpha,23-trihydroxy-11-oxo-5alpha-lanosta-8,24-dien-26-oic acid|ganolucidate F
(12beta,23S,24R,25S)-16,23:23,26-diepoxy-12,24,25-trihydroxy-9,19-cycloart-3-one|yunnanterpene A
2,3-Seco-oleana-12-en-2,3,28-trioic acid|6a-Carboxy-1-carboxymethyl-2-(1-carboxy-1-methyl-aethyl)-1,4a,4b,9,9-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-chrysen
(2beta,9beta,10alpha,16alpha,20xi,24xi)-20,24-epoxy-2,16,25-trihydroxy-9-methyl-19-norlanost-5-ene-3,11-dione
2alpha,3alpha,19alpha,23-tetrahydroxy-13,27-cyclours-11-en-28-oic acid
2beta,22beta-dihydroxy-3,21-dioxo-24-carboxyl-29-nor-friedelan methyl ester
(3beta)-3,30-dihydroxyurs-12-ene-24,28-dioic acid|ilexhainanin A
2,3-secolanost-9(11),24(Z)-diene-2,3,26-trioic acid|lanopropic acid
21-desoxoansamycin|4,5-dihydro-11-O-demethyl-15-demethoxy-18,21-didehydro-21-deoxomacbecin|7-O-carbamoylpre-macbecin
27-nor-5alpha-cholestane-3beta,4beta,5,6alpha,7beta,8,14,15alpha,24alpha-nonaol
2??,3??,19??-Trihydroxy-11-oxo-urs-12-en-28-oic acid
2-oxo-3beta,9alpha,12alpha,18-tetrahydroxy-lanosta-20(22),24-dien-21-al|lappalanasterol
(3beta,11alpha)-3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid
C12CCC(C(C(O)CC3)(C)C)C43CC24CC(O)C2(C)C1(C)CC1OC3(C4OC4(C)C(O)O3)CC(C)C21
2beta,3beta,23-trihydroxy-30-al-olean-12-ene-28-oic acid|eriophyllalol
3alpha-hydroxylup-20(28)-en-30-ol-23,28-dioic acid
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Memorosone
Nemorosone is a natural product found in Clusia rosea, Clusia nemorosa, and other organisms with data available.
Medicagenic acid
Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2]. Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].
(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
ganolucidic acid B
C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioic acid
C30H46O6_Urs-12-ene-24,28-dioic acid, 3,19-dihydroxy-, (3beta,5xi,9xi,18xi)
3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]
(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000848112]
3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid_major
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Catsanogenin
Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2]. Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].
Esculentic acid (Phytolacca)
22-Deoxoisocucurbitacin D
22-Deoxocucurbitacin D
3beta,19alpha,23-trihydroxy-6-oxo-olean-12-en-28-oic acid
3beta,6beta,19alpha-trihydroxy-23-oxo-urs-12-en-28-oic acid
[5-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Hexafluronium
M - Musculo-skeletal system > M03 - Muscle relaxants > M03A - Muscle relaxants, peripherally acting agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D006584 - Hexamethonium Compounds D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol
16,23,29-Trihydroxy-3-oxo-olean-12-en-28-oic acid
A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 16, 23 and 29 and an oxo group at position 3. It has been isolated from the stem bark of Kalopanax pictus and has been shown to exhibit anti-inflammatory activity.
16alpha-Hydroxygypsogenic acid
A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and hydroxy groups at positions 3 and 16 ( the 3beta,16alpha stereoisomer).
(3S,4S,6aR,6bS,8aR,14bR)-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
7-Epiclusianone
An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities.
Rel-2alpha,3alpha,23-trihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oic acid
A tetracyclic triterpenoid of the 8,19-seco-ursane-type skeleton isolated from the leaves of Rosa laevigata.
(4R,7R,8S)-N-cyclohexyl-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxopropylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
1-[(1R)-1-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-(2-pyridinyl)ethanone
(2S,3S,9R,13R,14S,16R)-2,3,16-Trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
[(4E,8E,12E)-2-(butanoylamino)-3-hydroxyhexadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E,12E)-3-hydroxy-2-(pentanoylamino)pentadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E,12E)-3-hydroxy-2-(propanoylamino)heptadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E,12E)-2-acetamido-3-hydroxyoctadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E,12E)-2-(hexanoylamino)-3-hydroxytetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
2-[hydroxy-[2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
GW 7647
GW7647 is a potent PPARα agonist, with EC50s of 6 nM, 1.1 μM, and 6.2 μM for human PPARα, PPARγ and PPARδ, respectively.
(6r)-6-[(1r,3s,3ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
6-(5,5-dimethyloxolan-2-yl)-5,10,16-trihydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-8-one
(2e,6s)-6-[(3r,3ar,5as,6s,7z,9ar,9bs)-6-(2-carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyl-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
6-[7-(1-carboxy-1-methylethyl)-6-(carboxymethyl)-3a,6,9b-trimethyl-1h,2h,3h,4h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
(3s,4s,6ar,6bs,8as,11r,12r,14br)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
5,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,10,11,12,12b,13,14-dodecahydropicene-4a-carboxylic acid
3-[(1s,4r,5r,8s,10s,12r,13r)-10-hydroxy-12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoic acid
1,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,7,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
9-formyl-1,8,10-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
3-hydroxy-11-(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
(1r,3r,5r,6s,7r,8z)-7-hydroxy-8-[hydroxy(phenyl)methylidene]-6-methyl-1,3,5-tris(3-methylbut-2-en-1-yl)tricyclo[4.3.1.0³,⁷]decane-2,9-dione
(1r,2r,4as,6as,6br,8ar,9r,10r,11r,12ar,12br,14bs)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
2,8-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(1s,5r,7s)-3-[hydroxy(phenyl)methylidene]-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione
(2z,9e)-16-isopropyl-2,6,13-trimethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,⁷.0¹³,¹⁷]octadeca-2,9-diene-10-carbaldehyde
(1r,3r,7r,12r,13s,14s,15r)-3,7-diheptyl-13,14,15-trihydroxy-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-5,9-dione
3-benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
1-hydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-2h-picene-4a-carboxylic acid
16-hydroxy-17-(hydroxymethyl)-1,2,14,17-tetramethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icosane-5,15-dicarboxylic acid
(1r,2r,5r,6r,7s,8r,10s,11r,14s,15s,16r,17r,20s)-7,8,16-trihydroxy-6-(hydroxymethyl)-2,6,10,16,17-pentamethylhexacyclo[12.8.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricos-12-ene-20-carboxylic acid
9-benzyl-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
(2r,4ar,5r,6as,6br,8ar,9r,12ar,12br,14bs)-5-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
(9r,14as)-9-benzyl-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
(6r)-6-[(1r)-1-[(1r,3as,3bs,5r,5ar,9ar,9bs,11as)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-3-(methoxymethyl)-4-methyl-5,6-dihydropyran-2-one
8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethyl-22-oxopentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid
(1s,3br,4r,5ar,9ar,9bs,11as)-1-[(2r,3s,5r)-5-[(1r)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4-hydroxy-6,6,9a,11a-tetramethyl-1h,2h,3bh,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,3br,4r,5ar,9ar,9bs,11as)-1-[(2r,3s,5r)-5-[(1s)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4-hydroxy-6,6,9a,11a-tetramethyl-1h,2h,3bh,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
1-[5-(1,2-dihydroxy-2-methylpropyl)-2-methoxyoxolan-3-yl]-4-hydroxy-6,6,9a,11a-tetramethyl-1h,2h,3bh,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(3ar,3bs,5ar,9as,9bs,10s)-1-[(2s,4s)-4-[(2r)-3,3-dimethyloxiran-2-yl]-2,4-dihydroxybutan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-dione
(2s,4ar,6as,6bs,8as,9r,10s,12as,12br,14bs)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
(1r,5r,7s)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
3-{[5-(n-hydroxy-3-{[5-(n-hydroxy-3-methylbutanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]-c-hydroxycarbonimidoyl}propanoic acid
(1s,5s,6r,7s)-3-benzoyl-4-hydroxy-6-methyl-1,7-bis(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
11-oxoasiatic acid
{"Ingredient_id": "HBIN000502","Ingredient_name": "11-oxoasiatic acid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O","Ingredient_weight": "502.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9380","PubChem_id": "69624247","DrugBank_id": "NA"}
1α-hydroxy-2-oxopomolicacid
{"Ingredient_id": "HBIN002306","Ingredient_name": "1\u03b1-hydroxy-2-oxopomolicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10579","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β,2α,19α-trihydroxy-3-oxo-12-ursen-28-oicacid
{"Ingredient_id": "HBIN002341","Ingredient_name": "1\u03b2,2\u03b1,19\u03b1-trihydroxy-3-oxo-12-ursen-28-oicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(C(C(=O)C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21815","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-o-(decanoyl)ingenol
{"Ingredient_id": "HBIN003434","Ingredient_name": "20-o-(decanoyl)ingenol","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "CCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C","Ingredient_weight": "502.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14928","TCMID_id": "4837","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44575955","DrugBank_id": "NA"}
2,25-epoxy-2,3,19-trihydroxy-12-ursen-28-oic acid; (2α,3β,19α)-form
{"Ingredient_id": "HBIN003665","Ingredient_name": "2,25-epoxy-2,3,19-trihydroxy-12-ursen-28-oic acid; (2\u03b1,3\u03b2,19\u03b1)-form","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "NA","Ingredient_weight": "502.68","OB_score": "NA","CAS_id": "252209-78-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9031","PubChem_id": "NA","DrugBank_id": "NA"}
23-nor-24-esomethylene-3,6,19-thihydroxyurs-12-en-28 oicacid
{"Ingredient_id": "HBIN004132","Ingredient_name": "23-nor-24-esomethylene-3,6,19-thihydroxyurs-12-en-28 oicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15738","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3α,19α-trihydroxy-11-oxo-urs-12-en-28-oicacid
{"Ingredient_id": "HBIN005165","Ingredient_name": "2\u03b1,3\u03b1,19\u03b1-trihydroxy-11-oxo-urs-12-en-28-oicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21816","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,16,23,28-tetrahydroxy-11,13(18)-oleanadien-29-oic acid; (3β,16α)-form
{"Ingredient_id": "HBIN006941","Ingredient_name": "3,16,23,28-tetrahydroxy-11,13(18)-oleanadien-29-oic acid; (3\u03b2,16\u03b1)-form","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "NA","Ingredient_weight": "502.68","OB_score": "NA","CAS_id": "198024-11-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8446","PubChem_id": "NA","DrugBank_id": "NA"}
3β,19α,23-trihydroxy-6-oxo-olean-12-en-28-oicacid
{"Ingredient_id": "HBIN008040","Ingredient_name": "3\u03b2,19\u03b1,23-trihydroxy-6-oxo-olean-12-en-28-oicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β,19α-dihydroxy-6-oxo-urs-12-en-23-ol-28-oicacid
{"Ingredient_id": "HBIN008043","Ingredient_name": "3\u03b2,19\u03b1-dihydroxy-6-oxo-urs-12-en-23-ol-28-oicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6070","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β,19α-dihydroxyurs-12-en-24,28-dioicacid
{"Ingredient_id": "HBIN008044","Ingredient_name": "3\u03b2,19\u03b1-dihydroxyurs-12-en-24,28-dioicacid","Alias": "NA","Ingredient_formula": "C30H46O6","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1(C)O)C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6174","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-epi-clusianone
{"Ingredient_id": "HBIN013174","Ingredient_name": "7-epi-clusianone","Alias": "NA","Ingredient_formula": "C33H42O4","Ingredient_Smile": "CC(=CCC1CC2(C(=O)C(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C","Ingredient_weight": "502.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "73441610","DrugBank_id": "NA"}
7-epi-nemorosone
{"Ingredient_id": "HBIN013181","Ingredient_name": "7-epi-nemorosone","Alias": "NA","Ingredient_formula": "C33H42O4","Ingredient_Smile": "CC(=CCC1CC2(C(=C(C(=O)C(C2=O)(C1(C)C)C(=O)C3=CC=CC=C3)CC=C(C)C)O)CC=C(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35726","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}