Exact Mass: 344.1139
Exact Mass Matches: 344.1139
Found 500 metabolites which its exact mass value is equals to given mass value 344.1139,
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].
Clotrimazole
Clotrimazole is an imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. -- Pubchem; There is the potential for drug interactions with Clotrimazole if taken orally, as it is a potent, specific inhibitor of cytochrome P450 oxidase enzymes and so may alter the metabolism of other drugs.; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. -- Wikipedia; An imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane.; Clotrimazole is a potent, specific inhibitor of cytochrome P450 oxidase enzymes. Hence, it may alter the metabolism of other drugs particularly if taken orally. -- Wikipedia; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. It also used to treat athletes foot and jock itch. [HMDB] Clotrimazole is an imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. -- Pubchem; There is the potential for drug interactions with Clotrimazole if taken orally, as it is a potent, specific inhibitor of cytochrome P450 oxidase enzymes and so may alter the metabolism of other drugs. Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. -- Wikipedia; An imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Clotrimazole is a potent, specific inhibitor of cytochrome P450 oxidase enzymes. Hence, it may alter the metabolism of other drugs particularly if taken orally. -- Wikipedia; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. It also used to treat athletes foot and jock itch. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
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].
Domesticoside
Domesticoside is found in fruits. Domesticoside is isolated from the bark of Prunus domestica (plum
4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside
4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is found in herbs and spices. 4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is found in herbs and spices.
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
Homovanillyl alcohol glucuronide
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.
clotrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 329
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
Polyhydroxylated cyclic sulfoxide
A natural product found in Salacia reticulata.
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
(4-Acetyl-3-hydroxy-5-methoxy-phenyl)-beta-D-glucopyranosid|(4-acetyl-3-hydroxy-5-methoxy-phenyl)-beta-D-glucopyranoside|4-O-beta-D-glucopyranosyl-2-hydroxy-6-methoxyacetophenone|4-O-beta-D-glucopyranosyl-2-O-methylphloroacetophenone|6-O-methylphloroacetophenone-4-O-|annphenone
3-(4-methoxybenzyl)-5,7-dihydroxy-6-methyl-8-methoxychroman-4-one
(1S,2S,3R,4R,5R,6S,10R,11R,14R)-3,4,5,10,14-pentahydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione|(2R)-2-hydroxymajucin
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
syringic acid 4-O-alpha-L-rhamnopyranoside|syringic acid 4-O-alpha-L-rhamnoside|syringic acid-4-O-alpha-L-rhamnoside
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
1-(2,4-dihydroxy-6-methylphenyl)-2-hydroxyethanone 2-O-beta-D-glucopyranoside|juniperoside VI
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
3-(2-O-beta-D-glucopyranosyl-4-hydroxyphenyl)propanoic acid
2-beta-D-glucopyranosyloxy-5-hydroxyphenylacetic acid methyl ester|2-??-D-Glucopyranosyloxy-5-hydroxyphenylacetic acid methyl ester
3-methoxy-4-[(4-O-methyl-beta-glucopyranosyl)oxy]benzoic acid|vanillic acid 4-(4-O-methyl-beta-glucopyranoside)
(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
(1RS,2RS,3SR,4RS)-2,3,4,7-Tetra-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
(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
1-(4-hydroxy-3-methoxyphenyl)-2-(O-beta-D-glucopyranosyl)ethanone|alpha-O-beta-D-glucopyranosylacetovanillone
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
clotrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2689 CONFIDENCE standard compound; INTERNAL_ID 8549
(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
C19H20O6_6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione
(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
4',6'-Dihydroxy-2'-methoxyacetophenone 6'-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
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
(1S,2S)-1,2-Bis(4-Methoxyphenyl)ethylenediamine dihydrochloride
CIS-2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)CYCLOHEXANOLHYDROCHLORIDE
Nifurquinazol
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
N-BUTYL 4-(4-METHOXYPHENOXYCARBONYL)PHENYL CARBONATE
4-(2-MORPHOLINOETHOXY)NAPHTHALEN-1-AMINE DIHYDROCHLORIDE
1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene
4-(4-fluorophenylsulphonyl)-1-(tert-butyloxycarbonyl)piperazine
4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranosyl fluoride
METHYL 3-AMINO-4-[(1-BENZYL-2-METHOXY-2-OXOETHYL)AMINO]-4-OXOBUTANOATE HYDROCHLORIDE
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]-
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
N2-(3-fluorophenyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine
(E)-9-hydroxy-N-(2-hydroxybenzylidene)-9H-fluorene-9-carbohydrazide
N-[7-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
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
2-Fluoro-2-deoxy-beta-D-galactopyranosyl-beta-D-glucopyranose
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
1-Oxo-1lambda4-thiacyclotridecane-3,4,5,6,8,10,11,12-octol
(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
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
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
8-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
2-nitro-N-{[5-(4-morpholinyl)-2-furyl]methylene}benzohydrazide
N-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-phenylacetamide
1-Tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
2-acetamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester
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
6-(5-Ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
[4-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] hydrogen sulfate
6-(4-Ethyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(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
[(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
(1s,4ar,7ar)-4a-hydroxy-7-methyl-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxybenzoic acid
(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
(5r,6r)-3-[(r)-2-[(1-hydroxyethylidene)amino]ethanesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
3-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid
methyl 4-(4-benzoyl-3,5-dihydroxyphenoxy)-2-methylbutanoate
4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one
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
4a-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,7ah-cyclopenta[c]pyran-7-carbaldehyde
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',4',6'-trihydroxyacetophenone,8ci; 2'-me ether,4'-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN004249","Ingredient_name": "2',4',6'-trihydroxyacetophenone,8ci; 2'-me ether,4'-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H20O9","Ingredient_Smile": "NA","Ingredient_weight": "344.31","OB_score": "NA","CAS_id": "61775-18-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8907","PubChem_id": "NA","DrugBank_id": "NA"}
2-β-d-glucopyranosyloxy-5-hydroxyphenyl-aceticacid methyl ester
{"Ingredient_id": "HBIN005387","Ingredient_name": "2-\u03b2-d-glucopyranosyloxy-5-hydroxyphenyl-aceticacid methyl ester","Alias": "NA","Ingredient_formula": "C15H20O9","Ingredient_Smile": "COC(=O)CC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8696","TCMSP_id": "NA","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"}
