Exact Mass: 388.17992960000004
Exact Mass Matches: 388.17992960000004
Found 500 metabolites which its exact mass value is equals to given mass value 388.17992960000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quassin
Bitter constituent of Quassia amara (Surinam quassia) and Picrasma excelsa (Jamaican quassiawood) Quassin is a white bitter, crystalline substance extracted from the quassia tree. It is the bitterest substance found in nature with a bitter threshold of 0.08ppm and it is 50 times more bitter than quinine. Quassin is a triterpenoid. 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione is a natural product found in Picrasma quassioides, Quassia amara, and other organisms with data available. Bitter constituent of Quassia amara (Surinam quassia) and Picrasma excelsa (Jamaican quassiawood)
12-Hydroxyjasmonic acid glucoside
12-hydroxyjasmonic acid glucoside, also known as tuberonic acid beta-D-glucoside, is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 12-hydroxyjasmonic acid glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 12-hydroxyjasmonic acid glucoside can be found in potato, which makes 12-hydroxyjasmonic acid glucoside a potential biomarker for the consumption of this food product.
7-Epi-12-hydroxyjasmonic acid glucoside
7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages. 7-Epi-12-hydroxyjasmonic acid glucoside is isolated from potato leaves (Solanum tuberosum). Isolated from potato leaves (Solanum tuberosum). 7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages and potato.
4-(1-Hydroxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methylbutyryl)-2H-1-benzopyran-2-one
MAB 4
MAB 4 is found in fruits. MAB 4 is isolated from seeds of Mammea americana (mamey
Furomammea G
Furomammea G is found in fruits. Furomammea G is obtained from seeds of Mammea americana (mamey
Cyclomammein
Cyclomammein is found in fruits. Cyclomammein is found in seeds of Mammea americana (mamey) Beta-D-Glucose 6 phosphate (b-G6P) is the beta-anomer of glucose-6-phosphate. There are two anomers of glucose 6 phosphate, the alpha anomer and the beta anomer. Specifically, beta-D-Glucose 6-phosphate is glucose sugar phosphorylated on carbon 6. It is a very common metabolite in cells as the vast majority of glucose entering a cell will become phosphorylated in this way. The primary reason for the immediate phosphorylation of glucose is to prevent diffusion out of the cell. The phosphorylation adds a charged phosphate group so the glucose 6-phosphate cannot easily cross the cell membrane. b-G6P is involved in the glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways [Kegg ID: C01172]. Beta-D-Glucose 6 phosphate can be generated through beta-D-fructose phosphate or alpha-D-glucose 6 phosphate (via glucose-6-phosphate isomerase) or beta-D glucose (via hexokinase). It can then be sent off to the pentose phosphate pathway which generates the useful cofactor NADPH as well as ribulose 5-phosphate, a carbon source for the synthesis of other molecules. Alternately if the cell needs energy or carbon skeletons for synthesis then glucose 6-phosphate is targeted for glycolysis. A third route is to have glucose 6 phosphate stored or converted to glycogen, especially if blood glucose levels are high
Fragransin D1
Fragransin D2 is found in herbs and spices. Fragransin D2 is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransin D2 is found in nutmeg and herbs and spices.
Fragransin D3
Fragransin D3 is found in nutmeg. Fragransin D3 is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransin D3 is found in nutmeg.
Pyranomammea C
Pyranomammea C is found in fruits. Pyranomammea C is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Pyranomammea C is found in fruits.
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is found in potato. beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is a constituent of Solanum tuberosum (potato). Constituent of Solanum tuberosum (potato). 11-Hydroxyjasmonic acid glucoside is found in potato.
Cycloneomammein
Cycloneomammein is found in fruits. Cycloneomammein is a constituent of seeds of Mammea americana (mamey) Beta-D-Glucose 6 phosphate (b-G6P) is the beta-anomer of glucose-6-phosphate. There are two anomers of glucose 6 phosphate, the alpha anomer and the beta anomer. Specifically, beta-D-Glucose 6-phosphate is glucose sugar phosphorylated on carbon 6. It is a very common metabolite in cells as the vast majority of glucose entering a cell will become phosphorylated in this way. The primary reason for the immediate phosphorylation of glucose is to prevent diffusion out of the cell. The phosphorylation adds a charged phosphate group so the glucose 6-phosphate cannot easily cross the cell membrane. b-G6P is involved in the glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways [Kegg ID: C01172]. Beta-D-Glucose 6 phosphate can be generated through beta-D-fructose phosphate or alpha-D-glucose 6 phosphate (via glucose-6-phosphate isomerase) or beta-D glucose (via hexokinase). It can then be sent off to the pentose phosphate pathway which generates the useful cofactor NADPH as well as ribulose 5-phosphate, a carbon source for the synthesis of other molecules. Alternately if the cell needs energy or carbon skeletons for synthesis then glucose 6-phosphate is targeted for glycolysis. A third route is to have glucose 6 phosphate stored or converted to glycogen, especially if blood glucose levels are high
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol is from Myristica fragrans (nutmeg
Pyranomammea B
Pyranomammea B is found in fruits. Pyranomammea B is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Pyranomammea B is found in fruits.
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside is a constituent of Scotch pine (Pinus sylvestris) bark. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside can be used as famine food. Constituent of Scotch pine (Pinus sylvestris) bark. Famine food
2-Hexynyl-5'-N-ethylcarboxamidoadenosine
Gomisin J
Methyl prednisolonate
trifluoroacetyl-l-lysyl-l-alaninanilide
GomisinJ
Gomisin J is a natural product found in Kadsura coccinea, Kadsura heteroclita, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2].
Pseudolaric acid A
Pseudolaric acid A is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric Acid A is a diterpene acid isolated from Pseudolarix kaempferi, has antifungal, cytotoxic and antifertile activities[1][2][3]. Pseudolaric Acid A is a diterpene acid isolated from Pseudolarix kaempferi, has antifungal, cytotoxic and antifertile activities[1][2][3].
MaoecrystalA
maoecrystal A is a natural product found in Isodon and Isodon eriocalyx with data available. Maoecrystal A is a compound isolated from leaves of Rabdosia eriocalyx[1].
Gomisin
Gomisin J is a natural product found in Kadsura coccinea, Kadsura heteroclita, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2].
Isocalolongic acid
Rubrisandrin A(2:1 Inseparable mixture of regeoisomers)
A natural product found in Schisandra rubriflora.
[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid
Caesalmin B
Caesalmin B is a natural product found in Guilandina bonduc and Caesalpinia minax with data available.
[3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid
6-Hydroxy-1,7-dioxo-3,20-epoxykaur-16-en-15-yl acetate
ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid
1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol
2-methoxy-1-[7-(2-methoxy-but-2-enoyl)-3,4,5,6-tetramethyl-2h,7h-pyrano[2,3-b]pyran-2-yl]-but-2-en-1-one
Isoapetalic acid
N-Benzyl-L-prolineethylester is a natural product found in Calophyllum blancoi and Calophyllum calaba with data available.
(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid
7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-(2-O-acetylglucopyranoside)|7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-<2-O-acetylglucopyranoside>
2beta-hydroxy-6-p-hydroxybenzoyllancerodiol|6-(4-Hydroxybenzoyl)-(1beta,2beta,4beta,5alpha,6alpha)-2,4,6-Trihydroxy-7-daucen-9-one
dimethyl 15,16-epoxy-12-oxo-3,13(16),14-ent-clerodatriene-17,18-dicarboxylate
7alpha-acetoxy-ent-clerodan-3,13-dien-18,19:16,15-diolide|7alpha-Acetoxy-neo-clerodan-3,13-dien-18,19:16,15-diolide
4,4-dihydroxy-3,3-dimethoxy-9-ethoxy-9,9-epoxylignan
salonitenolide 8-O-(1-acetoxyethylacrylate)|salonitenolide 8-O-<1-acetoxyethylacrylate>
1-<2,4-diacetoxy-3,5-di-(3-methylbut-2-enyl)-6-methoxy>phenylethanone
15-Acetoxy - Wederegiolide|15beta-acetoxywederegiolide
(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-4b,5,6,7,8,8a,9,10-octahydro-9,10-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-4b,5,6,7,8,8a,9,10-octahydro-9,10-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion
6beta-acetoxy-3alpha-angeloyloxy-10alphaH-furanoeremophil-9-one
(1S,4R,5S,6R,7R)-3-allyl-4-hydroxy-1-methoxy-(3,4,5-trimethoxyphenyl)-7-methyl-8-oxobicyclo<3.2.1>oct-2-ene (macrophyllin-B)|macrophyllin B
rel-(2S,3S,5R)-5-allyl-5-methoxy-2-(3,4,5-trimethoxyphenyl)-3-methyl-2,3,5,6-tetrahydro-6-oxobenzofuran
9alpha,15-dihydroxy-9-O-acetyl-15-O-senecioloxylgermacr-1(10),4(5),11(13)-triene-6alpha,12-olide
4-hydroxy-2-[(3,4-methylenedioxyphenyl)nonanoyl]cyclohexane-1,3-dione
3-(3,4,5-trimethoxyphenyl)propyl beta-D-glucopyranoside|dihydrosyringenin 9-O-beta-D-glucopyranoside
13-acetoxy-3beta-tigloyl-germacra-1(10)E,4E,7(11)-trien-12,6alpha-olide
8alpha-acetoxy-9beta-angeloyloxy-germacra-1E,4E,11(13)-trien-12,6alpha-olide
(4bS,8aS)-2-(2-Acetoxypropyl)-4b,5,6,7,8,8a-hexahydro-1,4-dihydroxy-4b,8,8-trimethylphenanthren-3,9-dion
(7E)-4-hydroxy-3,3,5,5-tetramethoxy-8,4-oxyneolignan
1alpha-acetoxy-6beta-angeloyloxy-10alphaH-9-oxofuranoeremophilane
8beta-angeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide
6alpha-acetoxy-3alpha,4alpha,15,16-diepoxy-cleroda-13(16),14-dien-12,10alpha,19-acetal|parvitexin A
1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-one|isoadenolin I
2alpha,3alpha-epoxy-2,3,7,8alpha-tetrahydropenianthic acid methyl ester
Delta7-9-hydroxy-3,4,35-tetramethoxy-8.O.4-neolignan
2beta-acetoxy-ent-clerodan-3,13-dien-18,19:16,15-diolide|2beta-Acetoxy-neo-clerodan-3,13-dien-18,19:16,15-diolide
2beta-acetoxy-6beta-angeloyloxy-1beta,10beta-epoxyfuroeremophilane
1-Ac-(ent-1alpha,5alpha,6beta,12xi)-15,16-Epoxy-1,12-dihydroxy-3,13(16)14-clerodatrien-18,6-olide|1beta-acetoxy-12-hydroxy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,16-olide
7, 7a-Dihydro-7a[1-methyl-2-(3, 4, 5-trimethoxyphenyl)ethyl]6-(2-propenyl)-1, 3-benzodioxol-5(6H)-one
2alpha-hydroxy-14-isobutyryloxy-cacalol propionate
helipterolide 3beta-2-methylbutyryloxy-14-O-acetate
14-O-benzoylminwanensin|rel-(4R,5S,6S,6aR,7S,9R,9aR)-6-[(benzoyloxy)methyl]-hexahydro-6a,7-dihydroxy-5,6,9-trimethyl-4H-4,9a-methanocyclopent[d]oxocin-2(1H)-one
(7R,8S,1R,3R)-Delta5,8-3,4,3,5-tetramethoxy-4-oxo-8.1,7.O.6-neolignan
(Z)-5xi-hydroxy-6xi,7xi,8xi-triacetoxydodeca-2-enoic acid
3,17-Di-Ac-(15alpha,16alpha,17beta)-Estra-1,3,5(10)-triene-3,15,16,17-tetrol
2-O-Acetyl-1-O-(3-methylbutanoyl)-6-O-tigloyl-beta-D-glucopyranose
12-acetoxy-15,16-epoxy-17-hydroxymethyl-cis-cleroda-3,13(16)14-triene-18,6-olide
(8S,9S)-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9-triol|myricananin H
7-Et ether-7,12-Dihydroxy-8,12-abietadiene-12,6-olide|canariquinone
desacetyl-beta-cyclopyrethrosin 6-O-angelate acetate
5,7-dihydroxy-4-(1-hydroxypropyl)-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-2 h -1-benzopyran-2-one
16-phenoxy tetranor Prostaglandin E2
Maoecrystal B
CID 91884875 is a natural product found in Isodon eriocalyx with data available.
3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid
(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol
6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]octa-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one
3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid
C22H28O6_(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid
C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)
3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid
[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,3a,4,5,5a,7,8,9-octahydrobenzo[e][2]benzofuran-5-yl] benzoate
(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid
Quassin
Quassin is a triterpenoid. 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione is a natural product found in Picrasma quassioides, Quassia amara, and other organisms with data available.
3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid
(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol [IIN-based: Match]
3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based on: CCMSLIB00000848449]
3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based: Match]
(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol [IIN-based on: CCMSLIB00000845648]
3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid [IIN-based: Match]
[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,3a,4,5,5a,7,8,9-octahydrobenzo[e][2]benzofuran-5-yl] benzoate_major
Piperenone
Ala Ala Met Pro
C16H28N4O5S (388.17803180000004)
Ala Ala Pro Met
C16H28N4O5S (388.17803180000004)
Ala Cys Pro Val
C16H28N4O5S (388.17803180000004)
Ala Cys Val Pro
C16H28N4O5S (388.17803180000004)
Ala Met Ala Pro
C16H28N4O5S (388.17803180000004)
Ala Met Pro Ala
C16H28N4O5S (388.17803180000004)
Ala Pro Ala Met
C16H28N4O5S (388.17803180000004)
Ala Pro Cys Val
C16H28N4O5S (388.17803180000004)
Ala Pro Met Ala
C16H28N4O5S (388.17803180000004)
Ala Pro Val Cys
C16H28N4O5S (388.17803180000004)
Ala Val Cys Pro
C16H28N4O5S (388.17803180000004)
Ala Val Pro Cys
C16H28N4O5S (388.17803180000004)
Cys Ala Pro Val
C16H28N4O5S (388.17803180000004)
Cys Ala Val Pro
C16H28N4O5S (388.17803180000004)
Cys Gly Ile Pro
C16H28N4O5S (388.17803180000004)
Cys Gly Leu Pro
C16H28N4O5S (388.17803180000004)
Cys Gly Pro Ile
C16H28N4O5S (388.17803180000004)
Cys Gly Pro Leu
C16H28N4O5S (388.17803180000004)
Cys Ile Gly Pro
C16H28N4O5S (388.17803180000004)
Cys Ile Pro Gly
C16H28N4O5S (388.17803180000004)
Cys Leu Gly Pro
C16H28N4O5S (388.17803180000004)
Cys Leu Pro Gly
C16H28N4O5S (388.17803180000004)
Cys Pro Ala Val
C16H28N4O5S (388.17803180000004)
Cys Pro Gly Ile
C16H28N4O5S (388.17803180000004)
Cys Pro Gly Leu
C16H28N4O5S (388.17803180000004)
Cys Pro Ile Gly
C16H28N4O5S (388.17803180000004)
Cys Pro Leu Gly
C16H28N4O5S (388.17803180000004)
Cys Pro Val Ala
C16H28N4O5S (388.17803180000004)
Cys Val Ala Pro
C16H28N4O5S (388.17803180000004)
Cys Val Pro Ala
C16H28N4O5S (388.17803180000004)
Gly Cys Ile Pro
C16H28N4O5S (388.17803180000004)
Gly Cys Leu Pro
C16H28N4O5S (388.17803180000004)
Gly Cys Pro Ile
C16H28N4O5S (388.17803180000004)
Gly Cys Pro Leu
C16H28N4O5S (388.17803180000004)
Gly Ile Cys Pro
C16H28N4O5S (388.17803180000004)
Gly Ile Pro Cys
C16H28N4O5S (388.17803180000004)
Gly Leu Cys Pro
C16H28N4O5S (388.17803180000004)
Gly Leu Pro Cys
C16H28N4O5S (388.17803180000004)
Gly Pro Cys Ile
C16H28N4O5S (388.17803180000004)
Gly Pro Cys Leu
C16H28N4O5S (388.17803180000004)
Gly Pro Ile Cys
C16H28N4O5S (388.17803180000004)
Gly Pro Leu Cys
C16H28N4O5S (388.17803180000004)
Ile Cys Gly Pro
C16H28N4O5S (388.17803180000004)
Ile Cys Pro Gly
C16H28N4O5S (388.17803180000004)
Ile Gly Cys Pro
C16H28N4O5S (388.17803180000004)
Ile Gly Pro Cys
C16H28N4O5S (388.17803180000004)
Ile Pro Cys Gly
C16H28N4O5S (388.17803180000004)
Ile Pro Gly Cys
C16H28N4O5S (388.17803180000004)
Leu Cys Gly Pro
C16H28N4O5S (388.17803180000004)
Leu Cys Pro Gly
C16H28N4O5S (388.17803180000004)
5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Leu Gly Cys Pro
C16H28N4O5S (388.17803180000004)
Leu Gly Pro Cys
C16H28N4O5S (388.17803180000004)
Leu Pro Cys Gly
C16H28N4O5S (388.17803180000004)
Leu Pro Gly Cys
C16H28N4O5S (388.17803180000004)
Met Ala Ala Pro
C16H28N4O5S (388.17803180000004)
Met Ala Pro Ala
C16H28N4O5S (388.17803180000004)
Met Pro Ala Ala
C16H28N4O5S (388.17803180000004)
Pro Ala Ala Met
C16H28N4O5S (388.17803180000004)
Pro Ala Cys Val
C16H28N4O5S (388.17803180000004)
Pro Ala Met Ala
C16H28N4O5S (388.17803180000004)
Pro Ala Val Cys
C16H28N4O5S (388.17803180000004)
Pro Cys Ala Val
C16H28N4O5S (388.17803180000004)
Pro Cys Gly Ile
C16H28N4O5S (388.17803180000004)
Pro Cys Gly Leu
C16H28N4O5S (388.17803180000004)
Pro Cys Ile Gly
C16H28N4O5S (388.17803180000004)
Pro Cys Leu Gly
C16H28N4O5S (388.17803180000004)
Pro Cys Val Ala
C16H28N4O5S (388.17803180000004)
Pro Gly Cys Ile
C16H28N4O5S (388.17803180000004)
Pro Gly Cys Leu
C16H28N4O5S (388.17803180000004)
Pro Gly Ile Cys
C16H28N4O5S (388.17803180000004)
Pro Gly Leu Cys
C16H28N4O5S (388.17803180000004)
Pro Ile Cys Gly
C16H28N4O5S (388.17803180000004)
Pro Ile Gly Cys
C16H28N4O5S (388.17803180000004)
Pro Leu Cys Gly
C16H28N4O5S (388.17803180000004)
Pro Leu Gly Cys
C16H28N4O5S (388.17803180000004)
Pro Met Ala Ala
C16H28N4O5S (388.17803180000004)
Pro Val Ala Cys
C16H28N4O5S (388.17803180000004)
Pro Val Cys Ala
C16H28N4O5S (388.17803180000004)
Val Ala Cys Pro
C16H28N4O5S (388.17803180000004)
Val Ala Pro Cys
C16H28N4O5S (388.17803180000004)
Val Cys Ala Pro
C16H28N4O5S (388.17803180000004)
Val Cys Pro Ala
C16H28N4O5S (388.17803180000004)
Val Pro Ala Cys
C16H28N4O5S (388.17803180000004)
Val Pro Cys Ala
C16H28N4O5S (388.17803180000004)
Cyclomammein
Furomammea G
Cycloneomammein
MAB 4
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol
Pyranomammea C
Pyranomammea B
b-D-Glucopyranosyl-11-hydroxyjasmonic acid
7-Epi-12-hydroxyjasmonic acid glucoside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
Tuberonic acid glucoside
H-Ala-Ala-Pro-Val-chloromethylketone hydrochloride salt
C17H29ClN4O4 (388.18772240000004)
4-(BOC-AMINO)-1-((2-HYDROXYPHENYL)(THIO&
C21H28N2O3S (388.18205380000006)
2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetic acid
(E)-N-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
C18H26B2N2O4S (388.17992960000004)
(Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentyl]-5-heptenoic acid
4,5,15,16-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,14-diol
Cyclopentaneacetic acid, 2-[(2Z)-5-(beta-D-glucopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2S)-
2-[3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
2-hydroxy-2-[2-[3-[hydroxy-[(E)-oct-2-enoyl]amino]propylamino]-2-oxoethyl]butanedioic acid
6-amino-N-(1-anilino-1-oxopropan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]hexanamide
methyl 2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoacetate
2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
2-[[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol
C21H28N2O3S (388.18205380000006)
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
C20H25FN4OS (388.17330119999997)
2,6-Dimethyl-4-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]morpholine
C21H28N2O3S (388.18205380000006)
(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol
6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]octa-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one
Calanolide E2 (diastereoisomer of calanolide E1)
A natural product found in Calophyllum teysmannii var inophylloide and Calophyllum lanigerum var austrocoriaceum.
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
EST73502 (monohydrochloride)
EST73502 monohydrochloride is a selective, orally active and blood-brain barrier (BBB) penetrant dual μ-opioid receptor (MOR) agonist and σ1 receptor (σ1R) antagonist, with Kis of 64 nM and 118 nM for MOR and σ1R, respectively. EST73502 monohydrochloride has antinociceptive activity[1].
5-(2,5-dihydroxyphenyl)-5-methoxy-3-{2-[(1r,2r,4s)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl}furan-2-one
1,4a-dimethyl (1s,4as,5s,8as)-5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1,4a-dicarboxylate
(5s,7s,8r,10as)-7,8-dimethyl-3-oxo-7-[2-(5-oxo-2h-furan-3-yl)ethyl]-1h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl acetate
1-(furan-3-yl)-2-[10-(hydroxymethyl)-9,12-dimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-9-yl]ethyl acetate
4-{2-[2,6-dimethoxy-4-(prop-1-en-1-yl)phenoxy]propyl}-2,6-dimethoxyphenol
(1s,4s,6r,7r)-4-hydroxy-1-methoxy-7-methyl-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one
(6ar,7r,8s,9r,10as)-7,8-dimethyl-3-oxo-7-[2-(2-oxo-5h-furan-3-yl)ethyl]-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-9-yl acetate
(1r,4r,5r,9r,10r,16s)-16-(acetyloxy)-14-formyl-5,9-dimethyl-2-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylic acid
(1s,2r,3'r,4'bs,7'r,8'as,9's,10's)-9',10'-dihydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-5',6',7',8'a,9',10'-hexahydro-3'h-spiro[cyclopropane-1,2'-phenanthren]-3'-yl acetate
3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaene-5,14-diol
(2s,3s,4r,6r,8s,11s,13r,15r)-13,18-dihydroxy-6-methyl-2-(2-oxopropyl)-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1(18),9-diene-7,17-dione
13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-11,14-dione
6a-hydroxy-4,4,8,11b-tetramethyl-3,9-dioxo-4ah,5h,6h,7h,10ah,11h,11ah-phenanthro[3,2-b]furan-7-yl acetate
(1s)-2-(furan-3-yl)-2-oxo-1-[(1s,4r,8s,9s,10r,12r)-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-9-yl]ethyl acetate
(1r,2r,4r,7r,10s,11r,12s,14s)-4-(furan-3-yl)-11-hydroxy-11-(1-methoxyethenyl)-2,10-dimethyl-5,13-dioxatetracyclo[8.5.0.0²,⁷.0¹²,¹⁴]pentadecan-6-one
(4as,9r,10as)-4a-formyl-6-hydroxy-7-isopropyl-1,1-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate
(r)-(3,4-dimethoxyphenyl)[(3s,4s,5s)-5-(3,4-dimethoxyphenyl)-4-methyloxolan-3-yl]methanol
(1s,8s,9s,10r,11r,13r)-8-(acetyloxy)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-11-yl (2z)-2-methylbut-2-enoate
9-[2-(furan-3-yl)-2-oxoethyl]-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-5-yl acetate
(1'r,2r,4's,6's,8's,9's,14's,16'r)-6'-(furan-3-yl)-16'-methyl-3',5'-dioxaspiro[oxirane-2,13'-tetracyclo[6.5.3.0¹,⁹.0⁴,⁸]hexadecan]-14'-yl acetate
7,8-dimethyl-3-oxo-7-[2-(2-oxo-5h-furan-3-yl)ethyl]-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-9-yl acetate
(3ar,4s,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (3r)-3-(acetyloxy)-2-methylidenebutanoate
(1r)-1-(furan-3-yl)-2-[(1s,8r,9r,10r,12s)-10-(hydroxymethyl)-9,12-dimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-9-yl]ethyl acetate
(1ar,3as,4s,5s,6r,7ar,7bs)-4-formyl-4-[2-(furan-3-yl)-2-oxoethyl]-5,7a,7b-trimethyl-hexahydro-1ah-naphtho[1,2-b]oxiren-6-yl acetate
(3r)-3-[(7r,8s)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7h,8h-pyrano[3,2-g]chromen-10-yl]hexanoic acid
2-[(2s,3s,4s,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-4,5-dimethoxyphenol
(2s,3s,3ar,7as)-2-(3,4-dimethoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-(prop-2-en-1-yl)-3,7-dihydro-2h-1-benzofuran-6-one
5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
(6r,7s,8s)-8-(4-hydroxy-3,5-dimethylphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
(1r,2r)-2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol
4-(acetyloxy)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-8-yl 3-methylbut-2-enoate
(3r)-3-[(2s,3r)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2h,3h-pyrano[2,3-f]chromen-6-yl]hexanoic acid
(1r,2r,8r,9s,11s)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate
(1r,4s,4ar,5r,8as)-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5,6-dimethyl-8-oxo-2,3,4,4a-tetrahydrospiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
(4as,6as,7s,10ar,11as,11bs)-6a-hydroxy-4,4,8,11b-tetramethyl-3,9-dioxo-4ah,5h,6h,7h,10ah,11h,11ah-phenanthro[3,2-b]furan-7-yl acetate
8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl acetate
[2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
(3ar,4s,5as,6s,9as)-6-isopropyl-3a,5a-dimethyl-2,8-dioxo-9a-(3-oxoprop-1-en-2-yl)-3h,4h,5h,6h,7h-azuleno[5,6-b]furan-4-yl acetate
5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-en-1-yl)-8-(2-methylbutanoyl)chromen-2-one
5,7-dihydroxy-4-[(1s)-1-hydroxypropyl]-8-(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)chromen-2-one
7-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-10-yl acetate
(1r,2r)-5'-hydroxyjasmonicacid 5'-o-β-d-glu-copyranoside
{"Ingredient_id": "HBIN003056","Ingredient_name": "(1r,2r)-5'-hydroxyjasmonicacid 5'-o-\u03b2-d-glu-copyranoside","Alias": "NA","Ingredient_formula": "C18H28O9","Ingredient_Smile": "C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apetalicacid
{"Ingredient_id": "HBIN016400","Ingredient_name": "apetalicacid","Alias": "NA","Ingredient_formula": "C22H28O6","Ingredient_Smile": "CCCC(CC(=O)O)C1=C2C(=C(C3=C1OC(C(C3=O)C)C)O)C=CC(O2)(C)C","Ingredient_weight": "388.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1470","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3012916","DrugBank_id": "NA"}