Exact Mass: 344.1396954
Exact Mass Matches: 344.1396954
Found 500 metabolites which its exact mass value is equals to given mass value 344.1396954,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxyelephantopin
Deoxyelephantopin is a sesquiterpenoid. Deoxyelephantopin is a natural product found in Elephantopus scaber with data available. Isodeoxyelephantopin is a terpene lactone. Deoxyelephantopin, a natural bioactive sesquiterpene lactone from Elephantopus scaber, has shown promising anticancer effects against a broad spectrum of cancers. Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt, and β-catenin signaling[1]. Deoxyelephantopin, a natural bioactive sesquiterpene lactone from Elephantopus scaber, has shown promising anticancer effects against a broad spectrum of cancers. Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt, and β-catenin signaling[1].
Melibiitol
C12H24O11 (344.13185539999995)
Melibitol is involved in galactose metabolism. D-galactose and D-sorbitol are combined to form melibitol through the action of alpha-galactosidase [EC:3.2.1.22]. It is a reversible reaction. [HMDB] Melibitol is involved in galactose metabolism. D-galactose and D-sorbitol are combined to form melibitol through the action of alpha-galactosidase [EC:3.2.1.22]. It is a reversible reaction.
Echinone
5,6,7,4-Tetramethoxyflavanone
A methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6, 7 and 4.
Diosbulbin B
Diosbulbin B is found in root vegetables. Diosbulbin B is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin B is found in root vegetables. Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2]. Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2].
Maltitol
C12H24O11 (344.13185539999995)
Maltitol is a sugar alcohol (polyol) used as a sugar substitute. It has 90\\% the sweetness of sugar and nearly identical properties, except for browning. It is used to very easily replace sugar and has less food energy, does not promote tooth decay and has a somewhat lower blood sugar response. Unfortunately, maltitol is well known to cause gastric distress, particularly if consumed in great quantities. Chemically, maltitol is also known as 4-O-alpha-Glucopyranosyl-D-sorbitol. Commercially, it is known under trade names such as Maltisorb and Maltisweet. Due to its slow absorption, excessive consumption of Maltitol can have laxative effect and often can cause gas and/or bloating. Maltitol is particularly demonized regarding gastric side effects because it is so easy for food producers to use it in vast quantities (due to its amazingly sugar-like properties) so consumers often end up consuming far more than they could most other sugar alcohols. While this is a major problem with maltitol, many sugar alcohols are far more likely to cause gastric distress than maltitol when compared gram-for-gram. Maltitol is an alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute. It has a role as a metabolite, a laxative and a sweetening agent. It is an alpha-D-glucoside and a glycosyl alditol. It is functionally related to an alpha-D-glucose and a D-glucitol. Maltitol is a natural product found in Lotus filicaulis, Lotus tenuis, and other organisms with data available. An alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute. Permitted bulk sweetener for foods
1-O-alpha-D-Glucopyranosyl-D-mannitol
C12H24O11 (344.13185539999995)
Low calorie sweetener with half the sweetness of sucrose. 6-O-alpha-D-Glucopyranosyl-D-glucitol is widely approved for food usage as a component of isomalt. Mixtures with the epimer
Tyrosyl-Tyrosine
Tyrosyl-Tyrosine is a dipeptied compoosed of two tyrosine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(-)-erythro-Anethole glycol 1-glucoside
(-)-erythro-Anethole glycol 1-glucoside is found in herbs and spices. (-)-erythro-Anethole glycol 1-glucoside is isolated from Foeniculum vulgare (fennel). Isolated from Foeniculum vulgare (fennel). (-)-erythro-Anethole glycol 1-glucoside is found in herbs and spices.
Malabaricano
Fragransin A2 is found in herbs and spices. Fragransin A2 is isolated from arils of Myristica fragrans (nutmeg). Isolated from Myristica fragrans. Malabaricano is found in herbs and spices.
(-)-erythro-Anethole glycol 2-glucoside
(-)-erythro-Anethole glycol 2-glucoside is found in herbs and spices. (-)-erythro-Anethole glycol 2-glucoside is isolated from Foeniculum vulgare (fennel). Isolated from Foeniculum vulgare (fennel). (+)-erythro-Anethole glycol 2-glucoside is found in herbs and spices.
Dihydroconiferin
Dihydroconiferin is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
3-Dehydronobilin
3-Dehydronobilin is found in herbs and spices. 3-Dehydronobilin is isolated from Anthemis nobilis (Roman chamomile). Isolated from Anthemis nobilis (Roman chamomile). 3-Dehydronobilin is found in roman camomile and herbs and spices.
2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is a constituent of Myristica fragrans (nutmeg) oil
(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide
(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide is found in fats and oils. (1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). (1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide is found in fats and oils.
Diosbulbin D
Diosbulbin D belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Diosbulbin D is an extremely weak basic (essentially neutral) compound (based on its pKa). Diosbulbin D is found in root vegetables and is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin D is found in root vegetables.
Safficinolide
Constituent of Salvia officinalis (sage). Safficinolide is found in tea, herbs and spices, and common sage. Safficinolide is found in common sage. Safficinolide is a constituent of Salvia officinalis (sage).
8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate
Rosmadial
Constituent of Rosmarinus officinalis (rosemary). Rosmadial is found in many foods, some of which are herbs and spices, cloves, nutmeg, and common sage. Rosmadial is found in caraway. Rosmadial is a constituent of Rosmarinus officinalis (rosemary).
Dehydrocyanaropicrin
Dehydrocyanaropicrin is found in globe artichoke. Dehydrocyanaropicrin is a constituent of Cynara scolymus (artichoke) Constituent of Cynara scolymus (artichoke). Dehydrocyanaropicrin is found in globe artichoke and root vegetables.
2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl 2-methylbut-2-enoate
Columbaridione
Constituent of Salvia columbariae (California chia). Columbaridione is found in herbs and spices, beverages, and common sage. Columbaridione is found in beverages. Columbaridione is a constituent of Salvia columbariae (California chia).
5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin
5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin is found in citrus. 5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin is isolated from lime oil (Citrus aurantifolia). Isolated from lime oil (Citrus aurantifolia). 5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin is found in citrus.
Isoachifolidiene
Isoachifolidiene is found in herbs and spices. Isoachifolidiene is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Isoachifolidiene is found in herbs and spices.
Lactitol
C12H24O11 (344.13185539999995)
Lactitol is found in herbs and spices. Artificial sweetener used in foods. Sweetness 0.4 x sucrose.Lactitol is a sugar alcohol used as a replacement bulk sweetener for low calorie foods with approximately 40\\% of the sweetness of sugar. Lactitol is produced by two manufacturers, Danisco and Purac Biochem A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives Artificial sweetener used in foods. Sweetness 0.4 x sucrose D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics
Chembl4159192
Methotrimeprazine sulfoxide
True blue
C20H16N4O2 (344.12731959999996)
(2S)-2-[[(2S)-2-Aminopropanoyl]-naphthalen-2-ylamino]pentanedioic acid
Cerasidin
Cerasidin is a member of the class of compounds known as 2-hydroxychalcones. 2-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2-position. Thus, cerasidin is considered to be a flavonoid lipid molecule. Cerasidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cerasidin can be found in sour cherry, which makes cerasidin a potential biomarker for the consumption of this food product.
4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
4,4-dihydroxy-3,3-dimethoxy-9,9-epoxylignan, also known as 34-divanillyltetrahydrofuran or dv-tetrahydrofuran, is a member of the class of compounds known as 9,9-epoxylignans. 9,9-epoxylignans are lignans with a structure based on the 9,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group). 4,4-dihydroxy-3,3-dimethoxy-9,9-epoxylignan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4,4-dihydroxy-3,3-dimethoxy-9,9-epoxylignan can be found in sesame, which makes 4,4-dihydroxy-3,3-dimethoxy-9,9-epoxylignan a potential biomarker for the consumption of this food product. D001697 - Biomedical and Dental Materials
5,7-Dihydroxy-6,8-dimethyl-3-(4-hydroxy-3-methoxybenzyl)chroman-4-one
4-[1-hydroxy-2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methoxyphenol
(+)-Decipienin A
6beta-Angeloyloxy-1,10b-epoxy-9-oxofuranoeremophilane
Isovaleric acid 2-(2-oxo-7-methoxy-2H-1-benzopyran-8-yl)-3-methyl-2-butenyl ester
Semopodin
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid
3,4:15,16-Diepoxy-2-hydroxy-1(10),13(16),14-clerodatrien-20,12-olide
Badkhysinin
[3aS-[3aalpha,7alpha(E),7abeta,8abeta,8balpha,8cbeta]]-2,3,3a,4,5,7,7a,8a,8b,8c-Decahydro-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-7-yl ester 2-methyl-2-butenoic acid
3alpha,4alpha-Epoxy-6-oxo-15,16-epoxy-8beta,10betaH-cis-clerodane-13(16),14-dien-20,12-olide
5,2-Dihydroxy-7-methoxy-6,8-dimethyl-4,5-methylenedioxyflavan
[3aR-[3aalpha,4beta(E),6aalpha,9aalpha,9bbeta]]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 4-hydroxy-2-methyl-2-butenoic acid
2-(4-Hydroxyphenyl)-8-(2,3-dihydroxy-3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-7-ol
[4S-[4alpha(Z),4aalpha,5alpha,6alpha]]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
4-[6,10-Dihydroxy-7,9-dehydro-6,7-dihydrogeranyloxy]-5-methylcoumarin
2,5,7-Trihydroxy-6,8-dimethyl-3-(4-methoxybenzyl)chroman-4-one
diosbulbin B
Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2]. Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2].
3-(4-Methoxybenzyl)-6-hydroxy-5,7-dimethoxychroman-4-one
3-(4-Methoxybenzyl)-8-hydroxy-5,7-dimethoxychroman-4-one
2,4,6-Trimethoxy-3,4-methylenedioxydihydrochalcone
(5R)-7-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-1-phenyl-3-heptanone
8-fluoro-2-(naphthalene-1-carbonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole
C22H17FN2O (344.13248439999995)
(6α)-11,12-Dihydroxy-6,20-epoxyabieta-8(14),9(11),12-triene-7,20-dione
Qianhucoumarin A
dihydroconiferyl alcohol 9-O-beta-D-glucopyranoside
4a.alpha.,4b.beta.-Gibb-3-ene-1.alpha.,10.beta.-dicarboxylic acid, 2.beta.,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
ent-3alpha,10beta-Dihydroxy-20-norgibberella-9(11),16-diene-7,19-dioic acid 7-methyl ester 19,10-lactone|gibberellin A88 methyl ester
O1-((1R,3Xi)-2-oxo-bornan-3-yl)-xi-D-glucopyranuronic acid|O1-((1R,3Xi)-2-Oxo-bornan-3-yl)-xi-D-glucopyranuronsaeure
6,7-seco-6,19:6,20-diepoxy-1,7-olide-ent-kauranoid|macrocalyxoformin B
(4bS,7R,8aS,9S,10S)-4b,5,6,7,8,8a,9,10-Octahydro-3,9,10-trihydroxy-4b,7-dimethyl-8-methyliden-2-(2-propenyl)phenanthren-1,4-dion
Myricananin A
(4aS,12bS)-1,2,3,4,4a,5,10,12b-octahydro-7,9,12-trihydroxy-4,4,12b-trimethyl-6H-phenanthro[3,2-b]pyran-6-one|12,17-epoxy-11,14,16-trihydroxy-17(15->16)-abeo-abieta-8,11,13,15-tetraen-7-one
7-[(2E,6E)-7-carboxy-5(xi)-hydroxy-3-methylocta-2,6-dienyloxy]-coumarin
1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Tetra-Me ether-2,4,5,7-Tetrahydroxyisoflavanone|Tetra-Me ether-2,4,5,7-Tetraphydroxyisoflavanone
1-[(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-yl]ethanone|bombasin
2-Hydroxy-alpha,3,4,4-tetramethoxy-chalkon|2-Hydroxy-alpha,3,4,4-tetramethoxy-trans-chalcon|2-Hydroxy-alpha-3,4,4-tetramethoxy-trans-chalcone
(+-)-3,3,4,7-Tetra-O-methyl-2,3-cis-fustin|(+-)-3,3,4,7-Tetra-O-methyl-2,3-cis-fustin
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
3(S)-Hydroxy-4(R)-angeloyloxy-3,4-dihydroxanthyletin
3-(4-methoxybenzyl)-5,7-dihydroxy-6-methyl-8-methoxychroman-4-one
teucrin A
Spiro[furan-3(2H),6-[6H]naphtho[1,8-bc]furan]-2,2(4H)-dione,5-(3-furanyl)-3,4,5,5,5a,7,8,8a-octahydro-8-hydroxy-7-methyl-,(3S,5S,5aS,7S,8S,8aR)-
2,3,4,6-Tetramethoxy-2-benzylcumaranon|2,6,3,4-tetramethoxy-2-benzylbenzo--furan-3(2H)-one|2,6,3,4-tetramethoxy-2-benzylbenzo-[b]-furan-3(2H)-one
4-(hydroxymethyl)-6-(8-methylprop-7-enyl)-5,6-dihydro-2H-pyran-2-one-11-O-beta-D-glucopyranoside|aruncide A
3,5-dimethoxy-4,4-dihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
(2R,3R)-2,3-dihydro-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one|(2R,3R)-3,4-dihydroxy-6,8-dimethyl-5,7-dimethoxyflavanone
3-(4-methoxybenzyl)-7-hydroxy-5,6-dimethoxychroman-4-one
2,4-Dihydroxy-alpha-(2,4-dihydroxy-5-(2-methyl-2-hydroxy-3-butenyl)phenyl)acetophenone
2,4-Dihydroxy-alpha-(2,4-dihydroxy-5-(1-methyl-1-(hydroxymethyl)allyl)phenyl)acetophenone
2,4-Dihydroxy-alpha-(2-hydroxymethyl-3,3-dimethyl-6-hydroxy-2,3-dihydrobenzofuran-5-yl)acetophenone
3-Methyl-2-butenoic acid 1-methyl-1-(2,3-dihydro-9-hydroxy-7-oxo-7H-furo[3,2-g][1]benzopyran-2-yl)ethyl ester
(+)-(2S,1S)-2-senecioyloxymarmesin|(+)-2-Senecioyloxymarmesin
(7S,8R,1S,5R,6R)-Delta2,8-3,5,6-trihydroxy-3,4-methylenedioxy-4-oxo-8.1,7.5-neolignan
1-O-beta-D-Glucopyranoside-6-(1-Methylpropyl)-1,2,4-benzenetriol
1,2,6-trihydroxy-5-methoxy-7-(3-methylbut-2-enyl)xanthone
(S)-1-(8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl acetate|5-methoxyacetylalkannin|5-O-methyl-11-O-acetylalkannin
6-Hydroxy-3-(4-methoxybenzyl)-5,7-dimethoxychroman-4-one
6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethyl-2,5-cyclohexadien-1-one 6-O-beta-D-glucoside
8-Hydroxy-5,7-dimethoxy-3-(4-methoxybenzyl)chroman-4-one
(8S)-8,9-dihydroxycuminyl beta-D-glucopyranoside|(8S)-8,9-Dihydroxycuminyl ??-D-glucopyranoside
2,3,4,6-Tetra-Me ether-2,3,4,5,6-Pentahydroxychalcone|3-hydroxy-2,4,5,6-tetramethoxychalcone|3-hydroxy-2,4,6-tetramethoxychalcone
Isoatriplicolide methylacrylate
4,15-Isoatriplicolide methylacrylate is a natural product found in Helianthus tuberosus and Helianthus angustifolius with data available.
Maltitol
C12H24O11 (344.13185539999995)
Acquisition and generation of the data is financially supported in part by CREST/JST.
3-[(4-methylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-[(4-methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien -6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.916 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.917
4-Hydroxy-2,3,4,6-tetramethoxychalcone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.059 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.058
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate
(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
C19H20O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl methacrylate
C19H20O6_(3R,5S)-5-(3-Furyl)-8a-hydroxy-7-methyl-3,4,5,5,5a,7,8,8a-octahydrospiro[furan-3,6-naphtho[1,8-bc]furan]-2,2(4H)-dione
C19H20O6_(3R,5S,7R)-5-(3-Furyl)-3-hydroxy-7-methyl-3,4,5,5,5a,7,8,8a-octahydrospiro[furan-3,6-naphtho[1,8-bc]furan]-2,2(4H)-dione
C20H16N4O2_4-(1H-Indol-3-ylmethyl)-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione
C20H16N4O2 (344.12731959999996)
C19H20O6_6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione
C16H24O8_Hexopyranoside, 2-hydroxy-2-(4-methoxyphenyl)-1-methylethyl
C16H24O8_beta-D-Glucopyranoside, 4-(3-hydroxypropyl)-2-methoxyphenyl
Lactitol
C12H24O11 (344.13185539999995)
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics
Tyr-tyr
Tyrosyltyrosine in which each tyrosine residue has L-configuration.
2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
(3S,4R,8R,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.0⁴,⁸]pentadeca-1(15),9-dien-3-yl 2-methylprop-2-enoate
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]
(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000848934]
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol_72.3\\%
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate_53.1\\%
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate_major
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0?,?]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate
Asp Gly Gly Pro
Asp Gly Pro Gly
Asp Pro Gly Gly
Gly Asp Gly Pro
Gly Asp Pro Gly
Gly Gly Asp Pro
Gly Gly Pro Asp
Gly Pro Asp Gly
Gly Pro Gly Asp
Pro Asp Gly Gly
Pro Gly Asp Gly
Palatinitol
C12H24O11 (344.13185539999995)
D001697 - Biomedical and Dental Materials > D002326 - Cariogenic Agents Isomalt (Palatinitol), a well-tolerated, non-toxic polyol and a protein-stabilizing excipient, stabilizes lactate dehydrogenase (LDH) moderately during freeze-drying, and performs better during storage. Isomalt is traditionally used as a sweetening agent in the food industry and as a tabletting excipient for pharmaceutical purposes[1].
Diphenylphosphine isopropyl ester
C20H25O3P (344.15412299999997)
(-)-erythro-Anethole glycol 1-glucoside
(-)-erythro-Anethole glycol 2-glucoside
Dehydrocyanaropicrin
Diosbulbin D
6-methyl-3,10-dimethylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,9-epoxycyclodeca[b]furan-4-yl methacrylate
6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione
Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
Piketoprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)[4-(4-nitrophenyl)-1-piperaziny l]methanone
C17H20N4O4 (344.14844800000003)
METHYL 6-(3,5-DIMETHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
trengestone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid hydrochloride
4-dodecylbenzenesulfonyl chloride
C18H29ClO2S (344.15766840000003)
true blue
C20H16N4O2 (344.12731959999996)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
CIS-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOLHYDROCHLORIDE
Bestatin hydrochloride
Bestatin hydrochloride is an inhibitor of CD13 (Aminopeptidase N)/APN and leukotriene A4 hydrolase, used for cancer research.
N-BUTYL 4-(4-METHOXYPHENOXYCARBONYL)PHENYL CARBONATE
9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetic acid
1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enamide,prop-2-enoic acid
tert-butyl N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate
N-(3-METHYL-ISOTHIAZOL-5-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C17H21BN2O3S (344.1365866000001)
9H-fluoren-9-ylmethyl piperazine-1-carboxylate,hydrochloride
ETHYLENEDIAMINETETRAACETIC ACID DIAMMONIUM SALT MONOHYDRATE
C10H24N4O9 (344.15432139999996)
4-(4-fluorophenylsulphonyl)-1-(tert-butyloxycarbonyl)piperazine
C15H21FN2O4S (344.12059980000004)
(2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
C20H25O3P (344.15412299999997)
1-octyl-3-MethyliMidazoliuM trifluoroMethanesulfonate
(2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
C20H25O3P (344.15412299999997)
(R)-3-((3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl) phenyl)amino)propane-1,2-diol
Benzoic acid, 4-[[[(6S)-2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]-
[4-(4-chloro-phenyl)-piperazin-1-yl]-p-tolyl-acetic acid
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
Abacavir hydroxyacetate
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
rac Methotrimeprazine Sulfoxide
2-(2-Methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
C12H24O11 (344.13185539999995)
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
2-[(5E)-5-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)cyclopenta-1,3-dien-1-yl]-4,6-dimethoxy-1,3,5-triazine
4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
N-{[(2s,3s)-3-(Ethoxycarbonyl)oxiran-2-Yl]carbonyl}-L-Isoleucyl-L-Alanine
3-(Toluene-4-sulfonyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
(11-Methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 2-methylprop-2-enoate
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
(2S,3R,4R,5R)-4-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
C12H24O11 (344.13185539999995)
5-(3,4-dihydroxyphenyl)-3-[(2S,4S)-2,4-dimethylhexanoyl]-2-oxo-1H-pyridin-4-olate
C19H22NO5- (344.14979020000004)
(2S,3R)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxybutanoate
4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methyl-formylamino]benzoic acid
(3aR,4R,6R,10Z,11aR)-3a,5,6,11a-Tetrahydro-6,10-dimethyl-3-methylene-4-(2-methylpropenoyloxy)-6,9-epoxycyclodeca[b]furan-2,7(3H,4H)-dione
(2S)-2-[[(2S)-2-Aminopropanoyl]-naphthalen-2-ylamino]pentanedioic acid
Isomalt
C12H24O11 (344.13185539999995)
D001697 - Biomedical and Dental Materials > D002326 - Cariogenic Agents Isomalt (Palatinitol), a well-tolerated, non-toxic polyol and a protein-stabilizing excipient, stabilizes lactate dehydrogenase (LDH) moderately during freeze-drying, and performs better during storage. Isomalt is traditionally used as a sweetening agent in the food industry and as a tabletting excipient for pharmaceutical purposes[1].
Sibiskoside
A monoterpene glycoside that is geraniol-5,10-olide glycosylated at position 1 by a beta-D-glucopyranosyl group. Isolated from the aerial parts of Sibiraea angustata, it exhibits anti-obesity activity.
Isopropylidene derivative of sappanol
A natural product found in Caesalpinia sappan.
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester
3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid
6-amino-4-[(E)-2-(2-furyl)-1-methylvinyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C20H16N4O2 (344.12731959999996)
julichrome Q6
A member of the class of anthracenes that is 3,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1(2H)-one which is substituted at position 4 by a 1-acetoxyetyl group and in which the acetoxy-bearing carbon has R configuration while the remaining two chiral centres have S configuration. A putative precursor in the biosynthesis of julichrome Q6-6. The corresponding 8-glucuronide has been isolated from a soil-derived strain of Streptomyces sp.
6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,7-hexahydrobenzo[a]anthracene-1,12-dione
N-[(E)-Pyridin-4-ylmethylideneamino]-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzamide
C19H16N6O (344.13855259999997)
Ethyl {3-[(3,5-dimethoxybenzoyl)amino]phenyl}carbamate
3-o-beta-d-Galactofuranosyl-d-mannitol
C12H24O11 (344.13185539999995)
N-[(1,2-dimethyl-5-indolyl)methyl]-4-methoxybenzenesulfonamide
Oxypeucedanin hydrate acetonide
A furanocoumarin that is 7H-furo[3,2-g]chromen-7-one substituted by a (2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy moiety at position 4. Isolated from Peucedanum turcomanicum and Angelica dahurica, it exhibits cytotoxic activity.
N-[(3,5-dimethoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide
1-(2,6-Diethylphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
C20H16N4O2 (344.12731959999996)
N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide
2-[(3-Fluorophenyl)methylthio]-1-(4-phenyl-1-piperazinyl)ethanone
3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
3-[2-Methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
C20H16N4O2 (344.12731959999996)
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
N-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine
C20H16N4O2 (344.12731959999996)
2-acetamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester
(2R,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,6-pentol
C12H24O11 (344.13185539999995)
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-prop-2-ynylacetamide
3-O-alpha-D-mannopyranosyl-D-mannitol
C12H24O11 (344.13185539999995)
3-O-alpha-D-glucopyranosyl-D-glucitol
C12H24O11 (344.13185539999995)
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-methoxybenzenesulfonamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
4-O-beta-D-galactopyranosyl-D-galactitol
C12H24O11 (344.13185539999995)
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
[(1R,2aR,8bR)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
[(1S,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aR,8bR)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
3-O-beta-D-galactopyranosyl-D-galactitol
C12H24O11 (344.13185539999995)
(2S,3R,4S,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
C12H24O11 (344.13185539999995)
N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
2-O-alpha-D-Galactofuranosyl-D-galactitol
C12H24O11 (344.13185539999995)
2-O-alpha-D-mannopyranosyl-D-mannitol
C12H24O11 (344.13185539999995)
6-O-beta-D-galactopyranosyl-D-galactitol
C12H24O11 (344.13185539999995)
ethyl 4-(8-fluoro-5H-pyrimido[5,4-b]indol-3-ium-4-yl)piperazine-1-carboxylate
[8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
4-O-beta-D-galactofuranosyl-D-altritol
C12H24O11 (344.13185539999995)
2-O-alpha-D-galactopyranosyl-D-mannitol
C12H24O11 (344.13185539999995)
1-O-alpha-D-mannopyranosyl-D-mannitol
C12H24O11 (344.13185539999995)
4-O-alpha-D-galactopyranosyl-D-galactitol
C12H24O11 (344.13185539999995)
10-[(2S)-3-(dimethylamino)-2-methylpropyl]-8-methoxyphenothiazin-3-ol
10-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-methoxyphenothiazin-3-ol
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
(2S)-1-(2-chloro-5-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
[(3S,4R,8R,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexanoate
C12H25O9P (344.12361300000003)
(3S,4R,8R,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.0,]pentadeca-1(15),9-dien-3-yl 2-methylprop-2-enoate
2-(3,4-Dimethoxyphenyl)ethyl beta-(D)-glucopyranoside
(2S,3R,4S,5S)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
C12H24O11 (344.13185539999995)
(2S,3R,4S,5S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
C12H24O11 (344.13185539999995)
(2S,3R,4R,5R)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,4,5-pentol
C12H24O11 (344.13185539999995)
glucosylmannitol
C12H24O11 (344.13185539999995)
D001697 - Biomedical and Dental Materials > D002326 - Cariogenic Agents Isomalt (Palatinitol), a well-tolerated, non-toxic polyol and a protein-stabilizing excipient, stabilizes lactate dehydrogenase (LDH) moderately during freeze-drying, and performs better during storage. Isomalt is traditionally used as a sweetening agent in the food industry and as a tabletting excipient for pharmaceutical purposes[1].
dihydroconiferyl alcohol glucoside
A primary alcohol that is dihydroconiferyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.