Exact Mass: 344.1236
Exact Mass Matches: 344.1236
Found 500 metabolites which its exact mass value is equals to given mass value 344.1236
,
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
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.
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
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
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
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.
8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate
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
Lactitol
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
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.
5,7-Dihydroxy-6,8-dimethyl-3-(4-hydroxy-3-methoxybenzyl)chroman-4-one
5,2-Dihydroxy-7-methoxy-6,8-dimethyl-4,5-methylenedioxyflavan
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
Qianhucoumarin A
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
14-hydroxy-1-methoxycarbonyl-8,13-dihydro-7H-indolo[2,3:3,4]pyrido[1,2-b]isoquinolinium betaine|Neooxygambirtannin|Neooxygambirtannine
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
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
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
1,2,6-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
8-Hydroxy-5,7-dimethoxy-3-(4-methoxybenzyl)chroman-4-one
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.
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
C19H20O6_6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione
Lactitol
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
(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
(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]
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
Palatinitol
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].
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
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
true blue
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
CIS-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOLHYDROCHLORIDE
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
9H-fluoren-9-ylmethyl piperazine-1-carboxylate,hydrochloride
4-(4-fluorophenylsulphonyl)-1-(tert-butyloxycarbonyl)piperazine
2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione
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
Rhodamine 123 free base
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(E)-9-hydroxy-N-(2-hydroxybenzylidene)-9H-fluorene-9-carbohydrazide
(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
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
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
(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
Isomalt
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].
2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2H-1,2,4-triazin-6-yl]amino]acetic acid butyl ester
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
6-amino-4-[(E)-2-(2-furyl)-1-methylvinyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) ester
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
6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
3-[2-Methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
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-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-phenylacetamide
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine
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
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-prop-2-ynylacetamide
[(1R,2aR,8bR)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(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
[8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
(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
(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
8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(2s)-2-(2,3-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl 3-methylbut-2-enoate
2,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate
7-hydroxy-5-[(2r)-2-hydroxypropyl]-8-methyl-3-(6-methyl-4-oxo-5,6-dihydropyran-2-yl)chromen-2-one
(3r,6s,6as,7r,12ar)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2h-tetraphene-1,12-dione
(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl (2e)-2-methylbut-2-enoate
(1s,2r,3s,5s,8r,11r,12s)-5-(furan-3-yl)-12-hydroxy-3-methyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
methyl 4-(4-benzoyl-3,5-dihydroxyphenoxy)-2-methylbutanoate
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one
10-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(3r,4'r,5s,6'r,8'r,11's)-5-(furan-3-yl)-11'-hydroxy-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(12')-ene-2,2'-dione
(9r,10r)-10-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
5,5-dimethyl-11'-oxaspiro[1,4-dioxolane-2,9'-tricyclo[10.4.0.0²,⁷]hexadecane]-1'(16'),2',4',6',12',14'-hexaene-4',5',14'-triol
methyl (2r)-4-(4-benzoyl-3,5-dihydroxyphenoxy)-2-methylbutanoate
(3r)-1-(2h-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-3-methoxypropan-1-one
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one
(3r,4r)-3-hydroxy-2,2-dimethyl-8-oxo-3h,4h-pyrano[3,2-g]chromen-4-yl 3-methylbut-2-enoate
[(2s)-3-[(1e)-2-{3,5-dihydroxy-4-[(1e)-3-methylbut-1-en-1-yl]phenyl}ethenyl]-5-oxo-2h-furan-2-yl]acetic acid
4-({11-hydroxy-4,4-dimethyl-3,5,8-trioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-6-yl}methyl)benzene-1,2-diol
3-(2h-1,3-benzodioxol-5-yl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
6-formyl-11-hydroxy-3,10-dimethylidene-2-oxo-3ah,8h,9h,11h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
4-hydroxy-2,6-dimethyl-8-[(2-oxochromen-7-yl)oxy]octa-2,6-dienoic acid
5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(2s)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydro-1-benzopyran-4-one
1-{3-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4-dihydroxy-5-methylphenyl}ethanone
4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]benzene-1,2-diol
{5-hydroxy-8,8-dimethyl-4-oxopyrano[3,2-g]chromen-2-yl}methyl 2-methylpropanoate
2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
(2s)-2-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethoxy-1-benzofuran-3-one
(3r,4'r,5s,6'r,8's,10'r)-5-(furan-3-yl)-10'-hydroxy-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(12')-ene-2,2'-dione
8-(2,4-dihydroxy-6-propylphenoxy)-6-hydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
1-methoxyacetylshikonin
{"Ingredient_id": "HBIN002708","Ingredient_name": "1-methoxyacetylshikonin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "NA","Ingredient_weight": "344.36","OB_score": "73.09034301","CAS_id": "106265-27-4","SymMap_id": "SMIT09094","TCMID_id": "NA","TCMSP_id": "MOL007714","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxy-2,3,4'6'-tetramethoxychalcone
{"Ingredient_id": "HBIN005724","Ingredient_name": "2'-hydroxy-2,3,4'6'-tetramethoxychalcone","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "COC1=CC=CC(=C1OC)C=CC(=O)C2=C(C=C(C=C2OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10747","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2''r,3''r)-epoxyangeloyldecursinol
{"Ingredient_id": "HBIN006453","Ingredient_name": "(2''r,3''r)-epoxyangeloyldecursinol","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC1C(O1)(C)C(=O)OC2CC3=C(C=C4C(=C3)C=CC(=O)O4)OC2(C)C","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7051","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11462054","DrugBank_id": "NA"}
(+)-(2's,3'r)-3'-hydroxyprantschimgin
{"Ingredient_id": "HBIN006630","Ingredient_name": "(+)-(2's,3'r)-3'-hydroxyprantschimgin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC(=CC(=O)OC(C)(C)C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10657","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(2's,3'r)-3'-senecioyloxymarmesin
{"Ingredient_id": "HBIN006631","Ingredient_name": "(?)-(2's,3'r)-3'-senecioyloxymarmesin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC(=CC(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "19695","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2''s,3''s)-epoxyangeloyldecursinol
{"Ingredient_id": "HBIN006726","Ingredient_name": "(2''s,3''s)-epoxyangeloyldecursinol","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC1C(O1)(C)C(=O)OC2CC3=C(C=C4C(=C3)C=CC(=O)O4)OC2(C)C","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7052","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11325377","DrugBank_id": "NA"}
(+)-2''-senecioyloxymarmesin
{"Ingredient_id": "HBIN006800","Ingredient_name": "(+)-2''-senecioyloxymarmesin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC(=CC(=O)OCC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "19694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-angeloyl-cis-khellactone
{"Ingredient_id": "HBIN007979","Ingredient_name": "3'-angeloyl-cis-khellactone","Alias": "3'-angeloyl-cis-khellactone","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1213","TCMSP_id": "NA","TCM_ID_id": "9986;16251","PubChem_id": "NA","DrugBank_id": "NA"}
3'(s)-hydroxy-4'(r)-angeloyloxy-3',4'-dihydro-xanthyletin
{"Ingredient_id": "HBIN009720","Ingredient_name": "3'(s)-hydroxy-4'(r)-angeloyloxy-3',4'-dihydro-xanthyletin","Alias": "3'(s)-hydroxy-4'(r)angeloyloxy-3',4'-dihydroxanthyletin","Ingredient_formula": "C19H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15806","TCMID_id": "9785;31147","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3's)-hydroxydeltoin
{"Ingredient_id": "HBIN009721","Ingredient_name": "(3's)-hydroxydeltoin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC=C(C)C(=O)OC(C)(C)C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15831","TCMID_id": "9975","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15491175","DrugBank_id": "NA"}
4''-hydroxydecursin
{"Ingredient_id": "HBIN010533","Ingredient_name": "4''-hydroxydecursin","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)CO","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9967","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11290871","DrugBank_id": "NA"}
4''-hydroxytigloyldecursinol
{"Ingredient_id": "HBIN010576","Ingredient_name": "4''-hydroxytigloyldecursinol","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "CC(=CCO)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5326154","DrugBank_id": "NA"}
5,7,8-trimethoxy-3-(4'-hydroxybenzyl)-4-chromanone
{"Ingredient_id": "HBIN011251","Ingredient_name": "5,7,8-trimethoxy-3-(4'-hydroxybenzyl)-4-chromanone","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9'-o-methylamericanol a
{"Ingredient_id": "HBIN014167","Ingredient_name": "9'-o-methylamericanol a","Alias": "NA","Ingredient_formula": "C19H20O6","Ingredient_Smile": "COCC=CC1=CC2=C(C=C1)OC(C(O2)CO)C3=CC(=C(C=C3)O)O","Ingredient_weight": "344.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14125","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101481341","DrugBank_id": "NA"}