Exact Mass: 330.0973
Exact Mass Matches: 330.0973
Found 500 metabolites which its exact mass value is equals to given mass value 330.0973,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetylshikonin
Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].
Vanilloyl glucose
Vanilloyl glucose is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanilloyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). Vanilloyl glucose can be found in a number of food items such as orange bell pepper, yellow bell pepper, pepper (c. annuum), and red bell pepper, which makes vanilloyl glucose a potential biomarker for the consumption of these food products.
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
4-Hydroxy-5,6,7-trimethoxyflavanone
A methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6 and 7 and a hydroxy group at position 4.
(+)-Sesamin dicatechol
A furofuran that is (+)-sesamin in which both of the methylene acetals groups have been hydrolysed to afford the corresponding bis-catechol. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is found in herbs and spices. (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a constituent of Coriandrum sativum (coriander) (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a hydroxycinnamic acid.
(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
(±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon. (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is isolated from bark of Chinese cinnamon (Cinnamomum cassia). Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices.
Americanol
Constituent of Phytolacca americana (pokeberry). Americanol is found in fruits and green vegetables. Americanol is found in fruits. Americanol is a constituent of Phytolacca americana (pokeberry).
Melilotocarpan C
Melilotocarpan C is found in herbs and spices. Melilotocarpan C is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan C is found in herbs and spices and pulses.
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices. 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices.
3'-Glucosyl-2',4',6'-trihydroxyacetophenone
3-Glucosyl-2,4,6-trihydroxyacetophenone is found in herbs and spices. 3-Glucosyl-2,4,6-trihydroxyacetophenone is a constituent of the leaves of Syzygium aromaticum (clove). Constituent of the leaves of Syzygium aromaticum (clove). 3-Glucosylphloroacetophenone is found in herbs and spices.
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices. 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices.
4-Hydroxy-2,3,9-trimethoxypterocarpan
4-Hydroxy-2,3,9-trimethoxypterocarpan is found in common pea. 4-Hydroxy-2,3,9-trimethoxypterocarpan is isolated from Pisum sativum (pea).
Isoamericanol A
Isoamericanol A is found in american pokeweed. Isoamericanol A is isolated from the seeds of Phytolacca americana (pokeberry). Isolated from the seeds of Phytolacca americana (pokeberry). Isoamericanol A is found in fruits and american pokeweed.
Cerasinone
Isolated from Prunus cerasus (cherry). Cerasinone is found in fruits and sour cherry. Cerasinone is found in fruits. Cerasinone is isolated from Prunus cerasus (cherry).
Aflatoxin B1 dialcohol
Aflatoxin B1 dialcohol is an aflatoxin B1 metabolite. Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus, most notably Aspergillus flavus and Aspergillus parasiticus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favorable for its growth. Favorable conditions include high moisture content (at least 7\\%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods; they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage. (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). Aflatoxin B1 dialcohol is a derivative of aflatoxin B1 (AFB1) that is formed from AFB1-dihydrodiol (AFB1-dhd) by a novel aldehyde reductase (Aflatoxin B1 aldehyde reductase) (PMID: 1134261). Aflatoxin B1 aldehyde reductases (AFARs) are inducible members of the aldo-keto reductase superfamily. They convert aflatoxin B1 dialdehyde derived from the exo- and endo-8,9-epoxides into a number of reduced alcohol products that might be less capable of forming covalent adducts with proteins (PMID: 18266327). AFB1 dialdehyde does not bind to DNA but can react with protein lysine groups. There are two principal techniques that can be used to detect levels of aflatoxin in humans. One measures the AFB1-guanine adduct in the urine of subjects. The presence of this breakdown product indicates exposure to aflatoxin B1 in the past 24 hours. The second technique involves the measurement of the AFB1-albumin adduct level in the blood serum.
Americanol A
Americanol A is found in fruits. Americanol A is isolated from seeds of Phytolacca americana (pokeberry). Isolated from seeds of Phytolacca americana (pokeberry). Americanol A is found in fruits.
Hydroxytyrosol 3'-glucuronide
Hydroxytyrosol 4'-glucuronide
1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
8-(3-Chlorostyryl)caffeine
Dimethyl 3,4-dimethoxy-6-phenylbenzene-1,2-dicarboxylate
Vanillic acid 4-beta-D-glucoside
Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-beta-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products. Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-β-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products.
Orsellinic acid 2-O-beta-D-glucoside
Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product.
3'-O-Methylviolanone
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5,7,4-Trihydroxy-3-methoxy-6,8-di-C-methylflavanone
3-(3,4-Dimethoxybenzyl)-5-methoxy-7-hydroxyisobenzofuran-1(3H)-one
Eriodictyol 7,3,4-trimethyl ether
2-(2,3-dimethoxy-5-methylbenzoyl)-4-hydroxy-6-methoxybenzaldehyde
1,3,5-trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthone
3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
beta-Hydroxy-2,6-dimethoxy-3,4-methylenedioxydihydrochalcone
2,4-Dihydroxy-2,3,6-trimethoxychalcone
2,4-Dihydroxy-2,3,6-trimethoxychalcone is a natural product found in Scutellaria discolor and Scutellaria barbata with data available.
TGSH
CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4153; ORIGINAL_PRECURSOR_SCAN_NO 4149 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4136; ORIGINAL_PRECURSOR_SCAN_NO 4135 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4138 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4162; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8852 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8857; ORIGINAL_PRECURSOR_SCAN_NO 8855 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8874; ORIGINAL_PRECURSOR_SCAN_NO 8873 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885
7-(diethylamino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
(10R)-10,11-dihydro-6,10-dihydroxy-1,4,9-trimethoxy-5H-dibenzo[a,d]cyclohepten-5-one|onosmone
(2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-2-propen-1-one|2,4-Dihydroxy-2,4,6-trimethoxy-chalcon|Cerasin
2 inverted exclamation marka,4-Dihydroxy-3 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-trimethoxychalcone
2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-
3-(3-Hydroxy-4-methoxybenzyl)-5-hydroxy-7-methoxychroman-4-one
5-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxychroman-4-one
2-Methoxy-3,7-dihydroxy-8,8,10-trimethyl-6,7-dihydroanthracene-1,4,5(8H)-trione
7-Me ether-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-mentyl-4-chromanone
3-(4-Methoxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
4,4,6-Tri-Me ether-1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione
1,4-bis(2-hydroxy-4-methoxyphenyl)butanedione|1.4-Bis-(2-hydroxy-4-methoxy-phenyl)-butandion-(1.4)|1.4-Bis-<2-hydroxy-4-methoxy-phenyl>-butandion-(1.4)
4-Hydroxy-5-oxo-5,7,8,13-tetrahydrobenz[g]indolo[2,3-a]quinolizine-1-carbaldehyde
1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
maltol-(6-O-acetyl)-beta-D-glucopyranoside|Maltol-(6-O-acetyl)-??-D-glucopyranoside
9,10-dihydro-2,3,5,6-tetramethoxyphenanthrene-1,4-dione
6-Me ether,di-Ac-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside
5-acetyloxy-12-hydroxy-3-methoxybibenzyl-6-carboxylic acid
2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K
(2R)-trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]cyclohexa-4,6-diene|trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]-cyclohexa-4,6-diene
3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside
pterolinus F
A benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.
3-methoxy-4,4,5-trihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
rel-(1aR,2R,3R,7bS)-1a,2,3,7b-tetrahydro-2,3-dihydroxy-5-[2-(4-methoxyphenyl)ethyl]-7H-oxireno[f][1]benzopyran-7-one
(3S)-3,5,7-trihydroxyl-6,8-dimethyl-3-(4-hydroxylbenzyl)chroman-4-one|polygonatone C
2,6-bis(3,4-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-7-methoxybenzofuran-5-carboxylic acid
5,7-Dihydroxy-3-(3,4-dimethoxybenzyl)chroman-4-one
5,8-dihydroxy-6,10-dimethoxy-2-propyl-benzo[g]chromen-4-one
methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate
3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
2-Hydroxy-2-(4-methoxybenzyl)-4,6-dimethoxybenzofuran-3(2H)-one
4,6-Dimethoxy-6-(1,1-dimethyl-2-propenyl)-5H-furo[3,2-g][1]benzopyran-5,7(6H)-dione
(3S)-2,4,5-trimethoxy-7-hydroxyisoflavanone|7-hydroxy-2,4,5-trimethoxyisoflavone
2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C
3-(3-Methoxy-4-hydroxybenzyl)-5,7-dimethoxyisobenzofuran-1(3H)-one
3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
2(S)-5,7,3-Trihydroxy-6,8-dimethyl-5-methoxy-flavanone
1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone
Phaseoloidin
Phaseoloidin is a natural product found in Entada pursaetha, Entada rheedei, and Entada phaseoloides with data available. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2]. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2].
Acetylalkannin
Acetylalkannin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1]. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1].
Myrciaphenone A
Myrciaphenone A is a natural product found in Curcuma comosa, Leontodon tuberosus, and Myrcia multiflora with data available.
7,3,4-Tri-O-methyleriodictyol
Eriodictyol 7,3,4-trimethyl ether is a natural product found in Piper umbellatum with data available.
C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]
C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid
Triallyl trimellitate
CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9826; ORIGINAL_PRECURSOR_SCAN_NO 9823 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9848; ORIGINAL_PRECURSOR_SCAN_NO 9846 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9835; ORIGINAL_PRECURSOR_SCAN_NO 9834
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-O-Methyl-3,9-dihydropunctatin
3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
Americanol
Americanol A
Isoamericanol
2-((1-Methylpropyl)amino)ethanol
3-Hydroxy-5,7-dimethoxy-3,4-methylenedioxyflavan
7-AMINO-4-METHYL-3-COUMARINACETIC ACID N-SUCCINIMIDYL ESTER
3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
2-(3,5-DICHLORO-4-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Warfarin sodium
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine
4-METHYL-1-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERIDINE DIHYDROCHLORIDE
1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene
Tasipimidine sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Tasipimidine sulfate is an orally active and selective α2A-adrenoceptor agonist with a pEC50 of 7.57 against human α2A-adrenoceptor. Tasipimidine sulfate can be used for situational anxiety and fear research[1].
Methyl 2-(1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
5-Methoxycarbonylmethyl-2'-O-methyluridine is a thymidine analogue. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
8-(3-Chlorostyryl)caffeine
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
A natural product found in Carthamus oxyacantha.
But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-naphthalenecarboxamide
5-methoxy-N-methyl-2-[2-(methylcarbamoyl)phenyl]sulanylbenzamide
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
(R)-3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one
7H-Furo[3,2-g][1]benzopyran-7-one, 5-[(1,1-dimethylallyl)oxy]-4,6-dimethoxy-
(3r)-3-(Fluoromethyl)-7-(Thiomorpholin-4-Ylsulfonyl)-1,2,3,4-Tetrahydroisoquinoline
2-Hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
2-(Butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
(±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon. (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is isolated from bark of Chinese cinnamon (Cinnamomum cassia). Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices.
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoate
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
N-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide
2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile
N-(1-naphthalenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
[(1S,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
2-Hydroxy-7,8-dihydropteroic acid
A member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function.
6-(5-Ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-Ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
9-methoxy-6-(2-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-ol
[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
ARNEBIN-3
Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone
6-Hydroxy-4,5,7-trimethoxyflavanone
[5,6-bis(acetyloxy)cyclohexa-1,3-dien-1-yl]methyl benzoate
5,8-dihydroxy-6,10-dimethoxy-2-propylbenzo[h]chromen-4-one
(2e)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
(3s)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁵]heptadeca-13,15-diene-6,12,17-trione
(3s)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxy-2-(hydroxymethyl)benzoate
methyl 7-hydroxy-2,3,3,9-tetramethyl-4,5-dioxo-2h-naphtho[1,2-b]furan-6-carboxylate
(3r)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-5,8-dimethoxy-2-(2-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
4,6-dimethoxy-5-[(2-methylbut-3-en-2-yl)oxy]furo[3,2-g]chromen-7-one
[(5r,6r)-4-formyl-6-hydroxy-9-methoxy-5-methyl-5h,6h-naphtho[2,3-b]furan-3-yl]methyl acetate
{4-formyl-6-hydroxy-9-methoxy-5-methyl-5h,6h-naphtho[2,3-b]furan-3-yl}methyl acetate
(2r,3r)-2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1s,2s,4r,5r,6r,9s,12r,17r)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-10,15-diene-7,14-dione
(2r,3r)-2-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
(1s,2r,4r,5r,12s,14r,15r,18r)-5-ethenyl-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1r,4e,13r,14s)-14-hydroxy-4-methyl-8-methylidene-3,15-dioxo-2-oxabicyclo[9.3.1]pentadeca-4,11-dien-9-yn-13-yl acetate
4-[3-(hydroxymethyl)-7-(3-hydroxyprop-1-en-1-yl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
(1s,3s,7s,8r,9z)-10-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-9,11-dien-8-yl 2-methylprop-2-enoate
4-[5-(3,4-dihydroxyphenyl)-2-hydroxy-1-methoxypent-4-yn-1-yl]benzene-1,2-diol
(3r)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl acetate
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
1-(3-o-β-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone
{"Ingredient_id": "HBIN001273","Ingredient_name": "1-(3-o-\u03b2-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15615","TCMID_id": "8621","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-O-vanilloyl-β-D-glucoside
{"Ingredient_id": "HBIN002936","Ingredient_name": "1-O-vanilloyl-\u03b2-D-glucoside","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38962","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
{"Ingredient_id": "HBIN006408","Ingredient_name": "(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol","Alias": "(2r,3r)-(+)-4',5,7-trimethoxydihydroflavonol","Ingredient_formula": "C18H18O6","Ingredient_Smile": "COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21893;32138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2(s)-5,7,3'-trihydroxy-6,8-dimethyl-5'-methoxy-flavanone
{"Ingredient_id": "HBIN006760","Ingredient_name": "2(s)-5,7,3'-trihydroxy-6,8-dimethyl-5'-methoxy-flavanone","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "CC1=C(C2=C(C(=C1O)C)OC(CC2=O)C3=CC(=CC(=C3)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(±)-3',3''-bisdemethylpinoresinol
{"Ingredient_id": "HBIN007158","Ingredient_name": "(±)-3',3''-bisdemethylpinoresinol","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "C1C2C(COC2C3=CC(=C(C=C3)O)O)C(O1)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2440","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester
{"Ingredient_id": "HBIN007392","Ingredient_name": "3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "NA","Ingredient_weight": "330.29","OB_score": "NA","CAS_id": "155112-92-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8283","PubChem_id": "NA","DrugBank_id": "NA"}
3-O-methylviolanone
{"Ingredient_id": "HBIN009369","Ingredient_name": "3-O-methylviolanone","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)OC","Ingredient_weight": "330.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10019512","DrugBank_id": "NA"}
acetylalkannin
{"Ingredient_id": "HBIN014444","Ingredient_name": "acetylalkannin","Alias": "ZINC16954710; CHEMBL112415; SCHEMBL4289438; 11-O-Acetylalkannin; Acetylalkannin","Ingredient_formula": "C18H18O6","Ingredient_Smile": "CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O)OC(=O)C)C","Ingredient_weight": "330.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14132","TCMID_id": "309","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137628887","DrugBank_id": "NA"}
