Exact Mass: 280.1223
Exact Mass Matches: 280.1223
Found 500 metabolites which its exact mass value is equals to given mass value 280.1223
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Autumnolide
Hymenoflorin
13-Hydroxyabscisic acid
13-Hydroxyabscisic acid is found in cowpea. 13-Hydroxyabscisic acid is a constituent of cowpea (Vigna unguiculata) fruits Constituent of cowpea (Vigna unguiculata) fruits. 13-Hydroxyabscisic acid is found in pulses and cowpea.
Nigellic acid
Nigellic acid is found in broad bean. Nigellic acid is isolated from leaves of Vicia fab Isolated from leaves of Vicia faba. Nigellic acid is found in pulses and broad bean.
8-Deoxy-11,13-dihydroxygrosheimin
8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables. 8-Deoxy-11,13-dihydroxygrosheimin is a constituent of Cynara scolymus (globe artichoke). Constituent of Cynara scolymus (globe artichoke). 8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables.
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables. (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is a constituent of Smyrnium olusatrum (alexanders). Constituent of Smyrnium olusatrum (alexanders). (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables.
Crispolide
Crispolide is found in herbs and spices. Crispolide is a constituent of Tanacetum vulgare var. crispum. Constituent of Tanacetum vulgare variety crispum. Crispolide is found in herbs and spices.
Artabsinolide A
Constituent of Artemisia absinthium (wormwood). Artabsinolide A is found in alcoholic beverages and herbs and spices. Artabsinolide B is found in alcoholic beverages. Artabsinolide B is a constituent of Artemisia absinthium (wormwood)
Vulgarolide
Vulgarolide is found in herbs and spices. Vulgarolide is a constituent of Tanacetum vulgare (tansy).
Dihydromarasmone
Dihydromarasmone is found in mushrooms. Dihydromarasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Dihydromarasmone is found in mushrooms.
Deepoxy-deoxynivalenol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Psilostachyin
Psilostachyin is a member of the class of compounds known as ambrosanolides and secoambrosanolides. Ambrosanolides and secoambrosanolides are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides). Psilostachyin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Psilostachyin can be found in mugwort, which makes psilostachyin a potential biomarker for the consumption of this food product. Psilostachyins are bio-active isolates of Ambrosia psilostachya .
Phaseic acid
Phaseic acid, also known as phaseate, belongs to abscisic acids and derivatives class of compounds. Those are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. Phaseic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Phaseic acid can be found in a number of food items such as boysenberry, prunus (cherry, plum), european plum, and wild rice, which makes phaseic acid a potential biomarker for the consumption of these food products. Phaseic acid is a terpenoid catabolite of abscisic acid. Like abscisic acid, it is a plant hormone associated with photosynthesis arrest and abscission .
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide can be found in roman camomile, which makes 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide a potential biomarker for the consumption of this food product.
Altamisic acid
[3aS-(3aalpha,5alpha,6alpha,6aalpha,8alpha,9bbeta)]-3a,4,5,6,6a,7,8,9b-Octahydro-5,6,8-trihydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
4alpha-Hydroperoxydesoxyvulgarin
[3aR-(3aalpha,4aalpha,5alpha,8beta,9abeta)]-3a,4,4a,5,6,8,9,9a-Octahydro-8-hydroperoxy-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
[3aS-(3aalpha,5alpha,6alpha,6aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-5,6,9-trihydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
4alpha,5alpha-Epoxy-8alpha,13-dihydroxy-1(10)E,7(11)-germacratrien-12,6alpha-olide
Dimerostemmolide
Artemisitene
Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2]. Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2].
5-Hydroperoxy-6,13-dehydro-5,6-dihydroanthecotuloide
epi-6-Hydroxy-5,6-dihydro-4,5-dehydro-antheindurolide A
7-carboxyl-6,8-dihydroxy-1,1,3,4,5-pentamethylisochroman
2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
(E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one
2-oxo-8alpha,10beta-dihydroxyguai-3-en-1alpha,5alpha,6beta,11betaH-12,6-olide
6beta-hydroxy-7alpha,8alpha-epoxy-1-oxo-10beta,11betaH-eremophilan-12,8-olide
3,3-Dimethyl-8-(benzyloxy)-2,4,6-trioxabicyclo[3.3.0]octane-7-methanol
1alpha-hydroxy-1-desoxotamirin-4alpha,5beta-epoxide
1alpha-hydroxy-desacetylirinol-4alpha,5beta-epoxide
1alpha-Hydroperoxy-4alpha,5beta-epoxygermacra-10(14),11(13)-dien-12,8alpha-olide
8alpha,9alpha-dihydroxy-4beta,15,11beta,13-tetrahydro-dehydrozaluzanin
(3?鈥?4?鈥?5alpha,6alpha,8alpha)-3,4,8-Trihydroxy-1(10),11(13)-guaiadien-12,6-olide
(E)-1-(2,3,4,6-tetramethoxyphenyl)pent-2-en-1-one|Tetra-Me ether-(E)-1-(2,3,4,5-Tetrahydroxyphenyl)-2-penten-1-one
15-epoxy-8alpha-hydroxy-11alpha,13-dihydrozaluzanin C|halenin A
11beta,13-dihydrourospermal A|11betaH,13-dihydrourospermal A|dihydrourospermal A
10beta-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
Crispolide
An organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare.
(1S,2R,5S,6S,7S,10R)-1,2,15-trihydroxyeudesma-3,11(13)-dien-6,12-olide
7-carboxyl-6,8-dihydroxy-1,1,3alpha,4beta,5-pentamethylisochroman
1-acetyl-3-hydroxy-2,6-dimethyl-4-isopentenylphloroglucinol
3-(methoxycarbonyl)propyl beta-D-glucopyranoside|3-(Methoxycarbonyl)propyl-??-D-glucopyranoside
(3aS,6R,6aR,9aS,9bR)-3,3a,4,5,6,6a,7,8,9a,9b-decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4.5-b]furan-2,9-dione|deacetyltetraneurin A|Desacetyltetraneurin-A
(1alpha,2beta,5beta,6alpha,10alpha)-2,5,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide
4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide
2-oxo-5alpha,10alpha-dihydroxyguaia-3-en-1-alpha,6beta,7alpha,11betaH-12,6-olide|artemanomalide A
5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione|flamvelutpenoid D
(4S,5R,6S,8R,10S)-6,8-dihydroxy-4,15-epoxy-eudesm-7(11)-en-12,8-olide|multistalactone A
(3aR,4S,5R,5aR,9aR,9bS)-1,2,4,5,5a,6,9a,9b-Octahydro-3a,4,9b-trihydroxy-5,8-dimethyl-1-methylidenenaphto(2,1-b)furan-7(3aH)-one|Lyophyllone A
5alpha,6alpha-epoxy-2alpha,4alpha-dihydroxy-1beta-guai-11(13)-en-12,8alpha-olide
10alpha-hydroxy-1alpha,4alpha-peroxide-2-guaien-12,6alpha-olide|11beta,13-dihydrotanaparthin-alpha-peroxide
3-(4-Hydroxypentyl)-7-hydroxy-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one
(1R,4S,5S,6R,7S,8S,10R)-1,6-dihydroxy-4(15)-epoxyeudesma-11(13)-en-8,12-olide|1,6-dihydroxy-4,(15)-epoxyeudesma-11(13)-en-8,12-olide
1alpha,8alpha,9alpha-trihydroxyeudesman-3(4),7(11)-dien-8beta;,12-olide
1-[2,6-dihydroxy-4-[(4-hydroxy-3-methyl-2-butenyl)oxy]phenyl]-2-methyl-1-propanone
10alpha-hydroxy-10,14-dihydrodesacylcynaropicrin|3beta,8alpha,10alpha-trihydroxy-guaia-4(15),11(13)-dien-1alpha,5alpha,6beta,7alphaH-12,6-olide
1beta,14-peroxy-4alpha-hydroxy-5alphaH,7alphaH,6betaH-eudesm-11(13)-en-6,12-olide
(4aRS,5SR,6SR,8aSR,9aSR)-4a,5,6,8a,9,9a-hexahydro-4a,5,6-trihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta,4beta,5beta-trihydroxyeudesma-1,7(11)-dien-12,8alpha-olide|serralactone D
(1E, 4?鈥? 5??, 6??, 10??, 11??H)-form-4, 5-Epoxy-10-hydroxy-3-oxo-1-germacren-12, 6-olide
4alpha-hydroxy-1beta-hydroperoxyguaia-10(14),11(13)-dien-12,8beta-olide
(1beta,4Z,6alpha,8alpha,10alpha)-form-1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide|(1R*,6S*,7R*,8S*,10S*)-8,15-dihydroxy-1(10)-epoxygermacr-4-ene-6,12-olide
(1beta,3bata,4Z,6alpha,10alpha)-1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
4alpha-hydroperoxy-10alpha-hydroxy-1alpha,5alphaH-guaia-2,11(13)-dien-12,6alpha-olide
(E)-11beta,15-dihydroxy-2-oxo-6betaH-13-norguaia-3-ene-11,6-carbolactone
(7alpha,8alpha,2alpha)-3,4,5-trimethoxy-7,3,1,9-diepoxylignan|cuminiresinol
2-Isobutyryl-4-(2-hydroxy-3-methyl-3-butenyl)benzene-1,3,5-triol
1-Methyl-3-phenethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
(1R*,5R*,6R*,7S*,8R*,9S*,10S*)-8,9,10-trihydroxygermacra-3,11(13)-germacradien-6,12-olide
1alpha,8alpha,11beta-trihydroxyguai-3,10(14)-dien-12,6alpha-olide
5beta,9beta-dihydroxy-1-oxo-germacra-1(10),4(15)-dien-12,6-olide
1beta-Hydroperoxy-8alpha-hydroxy-4,10(14)-germacradien-12,6alpha-olide
Artemisitene
Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2]. Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2].
2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
4-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
C15H20O5_(11xi)-4,7-Dihydroxy-12,13-epoxytrichothec-9-en-8-one
C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one
C15H20O5_Spiro[7H-cyclohepta[b]furan-7,2(5H)-furan]-2,5(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (3aS,6S,7R,8aR)
C17H16N2O2_1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-4-methyl-3-(phenylmethyl)
C15H20O5_4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based on: CCMSLIB00000846769]
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based: Match]
2,7-Acetylaminofluorene
CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3700; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3693; ORIGINAL_PRECURSOR_SCAN_NO 3691 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3704; ORIGINAL_PRECURSOR_SCAN_NO 3702 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3695; ORIGINAL_PRECURSOR_SCAN_NO 3693 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3770; ORIGINAL_PRECURSOR_SCAN_NO 3769 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3701; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7611; ORIGINAL_PRECURSOR_SCAN_NO 7609 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7638; ORIGINAL_PRECURSOR_SCAN_NO 7636 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7662; ORIGINAL_PRECURSOR_SCAN_NO 7660 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7671; ORIGINAL_PRECURSOR_SCAN_NO 7669 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7650; ORIGINAL_PRECURSOR_SCAN_NO 7649 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7674; ORIGINAL_PRECURSOR_SCAN_NO 7672
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid_major
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one_major
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,?]dodecan]-5-en-4-one
3-[(4-Carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid (Gemfibrozil M3)
Artabsinolide A
Dihydromarasmone
Nigellic acid
13-Hydroxyabscisic acid
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
Vulgarolide
8-Deoxy-11,13-dihydroxygrosheimin
4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
(2S,5S,5aS)-4,6-dihydroxy-5,5a,8-trimethyl-2,3,4,5,5a,9a-hexahydrospiro[oxirane-2,10-[2,5]methanobenzo[b]oxepin]-7(6H)-one
7-hydroxyabscisic acid
3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER
(2S,4S)-4-Boc-Amino pyrrolidine-2-carboxylic acid methylester hydrochloride
2-AMINO-4-METHOXY-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE
(R)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
Azabon
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
5-METHYL-2-NAPHTHALEN-1-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-NITROPYRIDINE
2-Methoxy-5-nitropyridine-3-boronic acid pinacol ester
3-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHANOL
Ethyl 3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl) propanoate
bis(trimethylsilyl)hypoxathine
9-(Trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=17962-89-9 (retrieved 2024-09-24) (CAS RN: 17962-89-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
4-Hydroxybenzenepropanoic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
2-Fluoro-5-(Methoxycarbonyl)benzeneboronic acid pinacol ester
1-Phenyl-3-[(phenylmethyl)amino]-2,5-pyrrolidinedione
METHYL (2R,4S)-4-BOC-AMINOPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
1-(4-aminobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
(S)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
N-Boc-cis-4-Amino-L-proline methyl ester hydrochloride
METHYL 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
2-(3-Methoxy-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzoic acid, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
N-Boc-trans-4-amino-L-proline methyl ester hydrochloride
3-Fluoro-4-(Methoxycarbonyl)benzeneboronic acid pinacol ester
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid hydrochloride
(2S)-2,6-diaminohexanoic acid,(2S)-2-hydroxybutanedioic acid
trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
Ethyl 1-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4,4,5,5-TETRAMETHYL-2-(4-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), (3S)-
Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one
(1R,5S,7S,8S)-7-Methoxy-8-(phenylmethoxy)-3,6-dioxabicyclo[3.2.1]octane-5-methanol
(2R,4R)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate hydrochloride
4-Fluoro-3-methoxycarbonylphenylboronic acid pinacol ester
4,4,5,5-TETRAMETHYL-2-(3-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]-pyridine-3-acetic acid
(2S,4R)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYLESTER-HCL
Opaviraline
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Parachlorophenol, Camphorated
D000890 - Anti-Infective Agents D004202 - Disinfectants
(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate
2-(Hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
9-Hydroxyabscisic acid
An oxo monocarboxylic acid that is (+)-abscisic acid substituted by a hydroxy group at position 9.
(2Z,4E)-5-[(1S,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
(3As,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
(3R,5S,10S,12R)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
4-[(3,5-Dimethylphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
N-[2-[2,3-dihydroindol-1-yl(oxo)methyl]phenyl]acetamide
2-(3-imino-1H-isoindol-2-yl)-1-(4-methoxyphenyl)ethanone
(1S,2S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
Dimethyl cis-3,3-dimethyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl (3AR*,5R*,6R*)-3,3-dimethyl-2,3,3A,4,5,6-hexahydroinden-1(H)-one-5,6-dicarboxylate
4-[5-(1,2-Dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
Dimethyl cis-4-(3-methyl-1-oxo-2-butenyl)-4-cyclohexene-1,2-dicarboxylate
(3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
(3aR,5R,5aR,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
8-hydroxyabscisate
MK-0608
MK-0608 is a potent and orally bioavailable inhibitor of HCV replication in vitro with an EC50 of 0.3 μM (EC90=1.3 μM) in the subgenomic-replicon assay[1].
N-Salicyloyltryptamine
N-Salicyloyltryptamine acts on voltage-dependent Na+, Ca2+, and K+ ion channels inhibitor. N-Salicyloyltryptamine inhibits K+ currents with an IC50 value of 34.6 μM (Ito). N-Salicyloyltryptamine also exhibits anticonvulsant, anti-inflammatory, analgesic, and vasorelaxation effect[1]-[5].
(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl 2-methylpropanoate
(2e,4s,5s,6r)-2-benzyl-4,5,7-trihydroxy-6-methylhept-2-enoic acid
(3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylidene-tetrahydro-3ah-spiro[cyclohepta[b]furan-7,2'-oxolane]-2,5'-dione
(3as,4r,4ar,7s,7as,8r,9ar)-4,7-dihydroxy-4a,8-dimethyl-3-methylidene-octahydroazuleno[6,5-b]furan-2,5-dione
(3ar,4as,5r,8s,9ar)-8-hydroperoxy-5-hydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
(3ar,4ar,8r,8as,9ar)-4a-hydroperoxy-8-hydroxy-8a-methyl-3,5-dimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-2-one
(2r,3r,4s,5r,6r)-2-[(3s)-3,4-dihydroxy-2-methylidenebutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,5r,10s,12s)-2-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one
(1s,4s,8s,9s,10s,11r)-9,10-dihydroxy-11-methyl-2,7-dimethylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
2-[(2r,4ar,8r,8ar)-4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1h-naphthalen-2-yl]prop-2-enoic acid
(4ar,5s,6s,8as,9as)-4a,5,6-trihydroxy-3,5,8a-trimethyl-4h,6h,9h,9ah-naphtho[2,3-b]furan-2-one
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl 2-methylpropanoate
(3as,4ar,5r,8s,9s,9ar)-5,8,9-trihydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
4a-hydroperoxy-8a-(hydroxymethyl)-3,5-dimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-2-one
(1r,2s,5r)-5-[(8r)-8-hydroxy-4h,7h,8h-imidazo[4,5-d][1,3]diazepin-3-yl]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
7,10-dihydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-8-en-13-one
4,6,8-trihydroxy-6-methyl-3,9-dimethylidene-octahydroazuleno[4,5-b]furan-2-one
8-hydroxy-11-(hydroxymethyl)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.0¹,⁶.0⁷,¹¹]tridec-2-en-4-one
10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.0⁴,¹⁴.0¹¹,¹⁴]tetradecane-2,6-dione
(3r,5r,8s,10s,12s)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one
(3s,3ar,4s,11ar)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carbaldehyde
(5s)-5-hydroxy-3-{2-[(1r,4s,5s,6s)-4,5,6-trimethyl-2,3-dioxabicyclo[2.2.2]oct-7-en-5-yl]ethyl}-5h-furan-2-one
(1r,4s,8s,9s,10s,11s)-9,10-dihydroxy-11-methyl-2,7-dimethylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
(3ar,4ar,5s,8s,9as)-8-hydroperoxy-5-hydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
3-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3ah,4h,5h,6h,6ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(1s)-7,8-dihydroxy-6-methoxy-1-pentyl-1,4-dihydro-2-benzopyran-3-one
(3as,5r,6s,6as,9s,9as,9bs)-5,6,9-trihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2-one
5-hydroxy-3-(4-hydroxypentyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one
(4as,7ar,8r)-4a,8-dihydroxy-1-(hydroxymethyl)-6,6,8-trimethyl-5h,7h,7ah-indeno[5,6-c]furan-4-one
(2e,4s)-5-[(3s,3as,6r,6as)-3,6-dimethyl-2-oxo-tetrahydro-3h-cyclopenta[b]furan-6-yl]-4-methyl-5-oxopent-2-enoic acid
1-{3-hydroxy-2,6-dimethoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethanone
3-{8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8ah-cyclohepta[b]furan-7-yl}propanoic acid
(2z,4e)-5-[(5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
1-(2,4-dihydroxy-3-methylphenyl)-2-[5-(1-hydroxyethyl)oxolan-2-yl]ethanone
(1s,2s,3s,5r,8s,11s)-2,8-dihydroxy-5-methyl-9,14-dimethylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-13-one
3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylidene-octahydroazuleno[4,5-b]furan-2-one
(1r,6s,11s)-11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodec-4-en-3-one
2-{5-hydroxy-4,4a-dimethyl-7-oxo-hexahydronaphtho[4,4a-b]oxiren-6-ylidene}propanoic acid
(3as,6s,7r,8r,8ar)-8-hydroxy-6,8-dimethyl-3-methylidene-tetrahydro-3ah-spiro[cyclohepta[b]furan-7,2'-oxolane]-2,5'-dione
7-hydroxy-3-(4-hydroxypentyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one
(1s,5r,6s)-5-hydroxy-1-[(1r)-1-hydroxy-3-methylbut-2-en-1-yl]-4-(hydroxymethyl)-3-[(1e)-prop-1-en-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
(3ar,4s,5ar,6r,9s,9as,9br)-4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-octahydro-3ah-naphtho[1,2-b]furan-9-carbaldehyde
5,6,9-trihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2-one
3,4,8-trihydroxy-6,6,8-trimethyl-3h,4h,4ah,5h,9h-azuleno[5,6-c]furan-1-one
5-hydroxy-3-{2-[(1s,4r,5s,6s)-4,5,6-trimethyl-2,3-dioxabicyclo[2.2.2]oct-7-en-5-yl]ethyl}-5h-furan-2-one
(2e)-2-(hydroxymethyl)-3-[(4s,5r)-5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1h-2-benzofuran-4-yl]prop-2-enoic acid
2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl (2z)-2-methylbut-2-enoate
(6s,6ar,9as,9br)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4h,5h,6h,7h,8h,9bh-azuleno[4,5-b]furan-2,9-dione
(3s,3ar,6as,10s,10as)-3,10-dihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-4-carbaldehyde
2-[(1ar,4s,4as,5r,6z,8as)-5-hydroxy-4,4a-dimethyl-7-oxo-hexahydronaphtho[4,4a-b]oxiren-6-ylidene]propanoic acid
8-hydroxy-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-6-ene-5,13-dione
(3as,4as,5r,8r,9as)-8-hydroperoxy-5-hydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
3-hydroxy-4-(3-hydroxy-2,6,6-trimethyloxan-2-yl)benzoic acid
(3r,3ar,4s,11ar)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carbaldehyde
1-{2,6-dihydroxy-4-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]phenyl}butan-1-one
(3ar,4s,5ar,6r,9r,9as,9br)-4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-octahydro-3ah-naphtho[1,2-b]furan-9-carbaldehyde
2-(4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1h-naphthalen-2-yl)prop-2-enoic acid
(1R,4R,5S, 10S)-zedoalactone B
{"Ingredient_id": "HBIN003126","Ingredient_name": "(1R,4R,5S, 10S)-zedoalactone B","Alias": "NA","Ingredient_formula": "C15H20O5","Ingredient_Smile": "CC1=C2CC3C(CCC3(C(C=C2OC1=O)(C)O)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42384","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2β-hydroxycoronopilin
{"Ingredient_id": "HBIN005398","Ingredient_name": "2\u03b2-hydroxycoronopilin","Alias": "NA","Ingredient_formula": "C15H20O5","Ingredient_Smile": "CC1CCC2C(C3(C1(C(CC3=O)O)O)C)OC(=O)C2=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9935","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(methoxycarbonyl)propyl-β-d-glucopyra-noside
{"Ingredient_id": "HBIN008821","Ingredient_name": "3-(methoxycarbonyl)propyl-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C11H20O8","Ingredient_Smile": "COC(=O)CCCOC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13870","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,14-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)z,4e,6α,8β)-form,4α,5β-epoxide
{"Ingredient_id": "HBIN013543","Ingredient_name": "8,14-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)z,4e,6\u03b1,8\u03b2)-form,4\u03b1,5\u03b2-epoxide","Alias": "NA","Ingredient_formula": "C15H20O5","Ingredient_Smile": "NA","Ingredient_weight": "280.32","OB_score": "NA","CAS_id": "156765-34-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7397","PubChem_id": "NA","DrugBank_id": "NA"}
asarumin a
{"Ingredient_id": "HBIN017031","Ingredient_name": "asarumin a","Alias": "NA","Ingredient_formula": "C15H20O5","Ingredient_Smile": "CC(C)C(C(C)OC(=O)C1=CC=CC=C1)(C(=O)OC)O","Ingredient_weight": "280.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1836","TCMSP_id": "NA","TCM_ID_id": "11833;16526","PubChem_id": "5492454","DrugBank_id": "NA"}