Exact Mass: 282.1327988
Exact Mass Matches: 282.1327988
Found 500 metabolites which its exact mass value is equals to given mass value 282.1327988,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Artemisinin
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000890 - Anti-Infective Agents (+)-artemisinin is a sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial and a plant metabolite. It is a sesquiterpene lactone and an organic peroxide. Artemisinin has been used in trials studying the treatment of Schizophrenia, Malaria, Falciparum, and Plasmodium Falciparum. Artemisinin is a natural product found in Microliabum polymnioides, Artemisia tenuisecta, and other organisms with data available. A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Plant; SubCategory_DNP: Sesquiterpenoids CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 9 INTERNAL_ID 9; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 1.152 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.156 [Raw Data] CB176_Artemisinin_pos_30eV_isCID-10eV_rep000004.txt [Raw Data] CB176_Artemisinin_pos_20eV_isCID-10eV_rep000004.txt [Raw Data] CB176_Artemisinin_pos_10eV_isCID-10eV_rep000004.txt [Raw Data] CB176_Artemisinin_pos_40eV_isCID-10eV_rep000004.txt [Raw Data] CB176_Artemisinin_pos_50eV_isCID-10eV_rep000004.txt Artemisinin (Qinghaosu), a sesquiterpene lactone, is an anti-malarial agent isolated from the aerial parts of Artemisia annua L. plants[1]. Artemisinin inhibits AKT signaling pathway by decreasing pAKT in a dose-dependent manner. Artemisinin reduces cancer cell proliferation, migration, invasion, tumorigenesis and metastasis and has neuroprotective effects[2]. Artemisinin (Qinghaosu), a sesquiterpene lactone, is an anti-malarial agent isolated from the aerial parts of Artemisia annua L. plants[1]. Artemisinin inhibits AKT signaling pathway by decreasing pAKT in a dose-dependent manner. Artemisinin reduces cancer cell proliferation, migration, invasion, tumorigenesis and metastasis and has neuroprotective effects[2]. Artemisinin (Qinghaosu), a sesquiterpene lactone, is an anti-malarial agent isolated from the aerial parts of Artemisia annua L. plants[1]. Artemisinin inhibits AKT signaling pathway by decreasing pAKT in a dose-dependent manner. Artemisinin reduces cancer cell proliferation, migration, invasion, tumorigenesis and metastasis and has neuroprotective effects[2].
Hymenoxon
Dihydrophaseic acid
Dihydrophaseic acid is an apo carotenoid sesquiterpenoid that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on opposite sides of the 6-membered ring. It has a role as a metabolite. It is a 6-hydroxy monocarboxylic acid, a cyclic ether, a tertiary alcohol, a secondary alcohol, an apo carotenoid sesquiterpenoid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a phaseic acid. Dihydrophaseic acid is a natural product found in Breynia rostrata, Sophora alopecuroides, and other organisms with data available. Dihydrophaseic acid (DPA), also known as 4-dihydrophaseic acid, belongs to the class of organic compounds known as abscisic acid and derivatives. These 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. Dihydrophaseic acid is found in coconut. Dihydrophaseic acid is isolated from French beans. An apo carotenoid sesquiterpenoid that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on opposite sides of the 6-membered ring. Isolated from French beans. Dihydrophaseic acid is found in many foods, some of which are sunflower, corn, pulses, and coconut.
Octyl gallate
Octyl gallate is a gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has a role as a food antioxidant, a plant metabolite and a hypoglycemic agent. Octyl gallate is an antioxidant used in margarineOctyl gallate has been shown to exhibit anti-viral function (A7906). A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Octyl gallate is an antioxidant used in margarin Antioxidant used in margarine. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3]. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3].
Oxyhumulinic acid
Oxyhumulinic acid is a secondary product present in beer derived from Humulone. Therefore, it is found in alcoholic beverages.
Oxyhumulinic acid is found in alcoholic beverages. Secondary produced present in beer derived from Humulone
Artabsinolide D
Constituent of Artemisia absinthium (wormwood). Artabsinolide D is found in alcoholic beverages and herbs and spices. Artabsinolide C is found in alcoholic beverages. Artabsinolide C is a constituent of Artemisia absinthium (wormwood)
Anguidol
Anguidol is produced by Fusarium roseum, Fusarium equiseti and Fusarium sporotrichiella. Mycotoxi Production by Fusarium roseum, Fusarium equiseti and Fusarium sporotrichiella. Mycotoxin D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Bisbynin
Bisbynin is found in cereals and cereal products. Bisbynin is isolated from seeds of Oryza sativa (rice). Isolated from seeds of Oryza sativa (rice). Bisbynin is found in cereals and cereal products.
Cynaratriol
Constituent of Cynara cardunculus (cardoon) and Cynara scolymus (globe artichoke). Cynaratriol is found in many foods, some of which are cardoon, globe artichoke, green vegetables, and herbs and spices. Cynaratriol is found in cardoon. Cynaratriol is a constituent of Cynara cardunculus (cardoon) and Cynara scolymus (globe artichoke)
Threonyltyrosine
Threonyltyrosine is a dipeptide composed of threonine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Threonine
Tyrosyl-Threonine is a dipeptide composed of tyrosine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Isoeugenol phenylacetate
Isoeugenol phenylacetate is a flavouring ingredient. Flavouring ingredient
Epidihydrophaseic acid
Epidihydrophaseic acid is found in pulses. Epidihydrophaseic acid is isolated from French beans. Isolated from French beans. Epidihydrophaseic acid is found in pulses.
Pisumic acid
Isolated from peas (Pisum sativum) irrigated with (±)-abscisic acid. Pisumic acid is found in common pea. Pisumic acid is isolated from peas (Pisum sativum) irrigated with (±)-abscisic acid.
Hydroxy-lacosamide
Hydroxy-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
(+)-Arteannuin
1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on 1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one. This compound has been identified in human blood as reported by (PMID: 31557052 ). (+)-arteannuin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (+)-Arteannuin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. Chemical Structure of Artemisinin: Artemisinin, also known as Qinghaosu, has a unique chemical structure that contributes to its biological activity. It is a sesquiterpene lactone with a peroxide bridge, which is rare in natural products. The molecular formula of artemisinin is C15H22O2. The structure consists of the following components: - **Sesquiterpene Framework**: Artemisinin is built on a 15-carbon sesquiterpene framework, which is a type of terpene compound. This framework includes three isoprene units (5 carbon atoms each) and one methyl group. - **Lactone Ring**: The sesquiterpene framework contains a lactone ring, which is a cyclic ester. In artemisinin, the lactone ring is formed between the carbon at position 1 and the oxygen at position 12, creating a five-membered ring. - **Peroxide Bridge**: The most distinctive feature of artemisinin is the presence of a peroxide bridge between carbon atoms 3 and 4. This peroxide group is essential for the molecule's antimalarial activity. - **Methyl and Methylene Groups**: The structure also includes methyl and methylene groups, with a methyl group at carbon atom 5 and a methylene group (CH2) at carbon atom 10. Biological Functions of Artemisinin: Artemisinin exhibits several important biological functions, particularly in the context of malaria treatment: - **Antimalarial Activity**: Artemisinin is highly effective against the malaria parasite, Plasmodium species. The peroxide bridge is critical for this activity. When the parasite's hemoglobin digestates, which are rich in iron, interact with the peroxide bridge, a reactive oxygen species (ROS) is generated. This ROS damages the parasite's membrane, leading to its destruction. - **Rapid Action**: Artemisinin has a rapid onset of action, clearing malaria parasites from the bloodstream within a short time. This rapid action is particularly useful in treating severe malaria. - **Resistance Mitigation**: Artemisinin combination therapies (ACTs) are used to mitigate the development of resistance to antimalarial drugs. By combining artemisinin with other longer-acting antimalarials, the treatment is more effective and helps to prevent resistance. - **Low Toxicity**: Artemisinin has relatively low toxicity to humans, making it a safe treatment option. However, as with any medication, it can have side effects, although these are generally mild and transient. The unique chemical structure of artemisinin and its potent biological functions have made it a vital tool in global efforts to control and eliminate malaria.
3-(2-(Benzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-phenyl-, ethyl ester
4-Hydroxyequilenin
2,3-Dihydro-6-(3-(2-hydroxymethyl)phenyl-2-propenyl)-benzofuranol
Azuleno(5,6-c)furan-1(3H)-one, 4,4a,5,6,7,7a,8,9-octahydro-3,4,8-trihydroxy-6,6,8-trimethyl-
Obovatol
Obovatol is a natural product found in Magnolia garrettii, Magnolia chevalieri, and other organisms with data available. Obovatol is a biphenyl ether lignan isolated from the leaves of Magnolia obovata Thunb[1]. Obovatol is a biphenyl ether lignan isolated from the leaves of Magnolia obovata Thunb[1].
[3S-(3R*,3aS*,4R*,7S*,10E,11aS*)]-3a,4,5,6,7,8,9,11a-octahydro-7-hydroperoxy-4-hydroxy-3,10-dimethyl-6-methylene-Cyclodeca[b]furan-2(3H)-one
1-Methyl-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroquinazoline-4-one
Decipienin H
2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
4-ethyl-1-hydroxy-4,8,8,10,10-pentamethyl-7,9-dioxo-2,3-dioxabicyclo[4.4.0]decene-5
[1S-[1alpha(E),5beta,6beta]]-5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Decipienin E
(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
1-(3-Methylbutanoyl)-(E)-3-Tridecene-5,7,9,11-tetrayne-1,2-diol|1-isovaleryloxy-tridec-3E-en-5,7,9,11-tetrayn-2-ol
1,2-Dihydro-(Z,Z)-1,12-Diisothiocyanato-1,11-dodecadiene
(4aRS,5SR,8RS,8aRS,9aSR)-4a,5,6,7,8,8a,9,9a-octahydro-5,8-dihydroxy-8a-(hydroxymethyl)-3,5-dimethylnaphtho[2,3-b]furan-2(4H)-one|1beta,4beta,14-trihydroxyeudesm-7(11)-en-12,8alpha-olide|serralactone B
2beta-hydroxy-3,6-dedioxypseudoanisatin|2??-Hydroxy-3,6-dedioxypseudoanisatin
3-deoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
2,3-didehydro-5-O-methyl-11-epiillifunone E|rel-(2R,3aR,7aR)-3,3a,7,7a-tetrahydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-7a-methoxy-5-(prop-2-enyl)benzofuran-6(2H)-one
(2S,3S)-2,3-dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxymethyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.
3beta,7alpha,14-trihydroxy-Delta8,9-drimen-11,12-olide
1beta-hydroperoxy-3beta-hydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide
1-Hydroxy-5,6-seco-4(15),10(14)-germacradien-5,2-olid-6-oic acid
Phenol, 2-[3-hydroxy-4-(2-propenyl)phenoxy]-5-(2-propenyl)-
(3S,4R,5S,2S,3R)-4,5-dihydroxy-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2,5]octan-6-one|5-Demethylovalicin|demethyl ovalicin|USF-3506A
1beta, 4alpha, 6alpha-trihydroxyeudesm-11-en-8alpha-12-olide|1beta,4alpha,6alpha-trihydroxy-eudesm-11-en-8alpha-olide|1beta,4alpha,6alpha-trihydroxyeudesm-11-en-8alpha,12-olide
4-<3-Hydroxy-2,2-bis(hydroxymethyl)propyloxy>-5,5-bis(hydroxymethyl)-1,3-dioxan
1,10-Epoxy-8,9-dihydroxy-4-germacren-12,6alpha-olide
4alpha,8beta,9alpha-trihydroxy-5alphaH-7(11)-eudesmen-12,8alpha-olide
(10R)-2alpha,10,13,15-tetrahydroxy-lactara-6-en-5-oic acid gamma-lactone|subvellerolactone B
(+-)-(1Xi,2Xi,4aXi)-2-Methoxy-(4ar,8at)-octahydro-1H-spiro[cyclopropan-1,2-naphthalin]-2r,3c-dicarbonsaeure|(+-)-(1Xi,2Xi,4aXi)-2-methoxy-(4ar,8at)-octahydro-1H-spiro[cyclopropane-1,2-naphthalene]-2r,3c-dicarboxylic acid
fascicularone K|rel-(2aR,2bR,4R,5R,6S,6aR,7R,7aR)-decahydro-4,6a-dihydroxy-2b-(hydroxymethyl)-1,1,6-trimethyl-5,7-epoxy-3H-cyclobut[a]inden-3-one
(1alpha,3alpha,4beta,5alpha,6alpha,10beta)-3,4,10-Trihydroxy-11(13)-guaien-12,6-olide|(1R,3R,4R,5S,6S,7S,10S)-3,4,10-trihydroxyguai-11(13)-en-6,12-olide
1beta,4alpha,8-trihydroxy-7(11)-eneudesm-8,12-olide|chloraeudolide
8beta-1-Hydroxy-5,10-dioxo-1,10:5,10-diseco-11(13)-eudesmen-12,8-olide
4-hydroxy-alpha-[4-((E)-1-propenyl)phenoxy]propiophenone
(1R,4R,5S,5aR,6aR,8aS,9S)-octahydro-5-hydroxy-6a-hydroxymethyl-9-(2-hydroxy-1-methylethyl)-1,4-methano-2H-cyclopropan[1,5]cyclopent[1,2-d]oxepin-2-one|dendronobilin F
(1beta,5alpha,7beta,8beta,11beta)-5-hydroperoxy-1- hydroxyeudesm-4(15)-eno-12,8-lactone|rel-(3R,3aS,4aS,8S,8aR,9aS)-decahydro-4a-hydroperoxy-8-hydroxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
1beta,3beta,15-trihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide D
(7S,7S,8R)-8(9)-ene-4,4-dihydroxy-7,7-epoxylignan|ribesin C
6beta,8beta,9beta-trihydroxyeremophil-7(11)-en-(12,8alpha)-olide
2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|Olmecol
1,7alpha,10alpha-trihydroxyeremophil-11(13)-en-12,8-olide
1,10alpha,13-trihydroxyeremophil-7(11)-en-12,8-olide
(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran|miliumollinone
4beta,5beta-dihydroxy-15-oxo-eudesm-11(13)-en-12-oic acid
(1beta,4alpha,6alpha,8beta)-1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide|1beta,4alpha,8beta-trihydroxy-eudesm-11(13)-en-12,6alpha-olide|1beta,8beta-dihydroxyarbusculin A
(3R,4S,5R,6R,8R,10S)-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide
(3alpha,6alpha,7alpha,11()-6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one|(3alpha,6alpha,7alpha,11xi)-6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one|11-Hydroxyphomenone
11beta,13-dihydro-8alpha-hydroxy-4-epi-sonchucarpolide|8alpha-hydroxy-11beta,13-dihydro-4-episonchucaprolide
1,5-endoperoxy-2-hydroperoxycarot-3-ene-4-carbaldehyd|1,5-epidioxy-2-hydroperoxycarot-3-en-14-al
1alpha,2beta,4beta-trihydroxy-pseudoguaian-6beta,12-olide|1??,2??,4??-Trihydroxypseudoguaian-6??,12-olide
(1S,2S,3S,4S,1R,3R,5R,7R)-2,3-epoxy-7-hydroxymethyl-3,4-dimethylspiro[cyclohexane-1,2-[8,9]dioxatricyclo[3.3.1.03,7]nonan]-4-ol|spirotenuipesine B
R-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran|S-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran
(3alpha,6?鈥?-3,6,12,13-Tetrahydroxy-7(11),9-eremophiladien-8-one
Ac-(all-E)-10-(4-Hydroxyphenyl)-3,5,7,9-decatetraen-2-one
2-Me ether-9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde|5-formyl-2-hydroxy-1,8-dimethyl-7-methoxy-9,10-dihydrophenanthrene
fascicularone I|rel-(2aR,2bS,3R,4R,5S,5aR,6R,6aR)-decahydro-3,4,5a-trihydroxy-1,1,2b,5-tetramethyl-6,3-(epoxymethano)cyclobuta[a]pentalen-8-one
(3ξ,4ξ,5ξ,6ξ,7ξ,11ξ)-3,6-Dihydroxy-8-oxo-9-eremophilene-12-oic acid
Isomaglone
Isomagnolone is a natural product found in Illicium simonsii with data available.
4-[5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, 3,4,5,6,6a,9-hexahydro-4-hydroxy-7-(1-hydroxy-1-methylethyl)
C15H22O5_2H-Cyclohepta[b]furan-7-propanoic acid, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-2-oxo-, (3aS,6S,8aR)
C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)
C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
5,9-dihydroxy-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
1,5,9-trihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
Octyl gallate
CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5149; ORIGINAL_PRECURSOR_SCAN_NO 5147 D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5225; ORIGINAL_PRECURSOR_SCAN_NO 5224 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5194; ORIGINAL_PRECURSOR_SCAN_NO 5193 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5226; ORIGINAL_PRECURSOR_SCAN_NO 5225 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5221; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5223; ORIGINAL_PRECURSOR_SCAN_NO 5222 Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3]. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3].
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one_major
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid_major
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid_major
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid_major
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one_13.1\\%
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid_53.2\\%
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0?,¹³.0?,¹³]hexadecan-10-one
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,?]dodecane-8-carboxylic acid
epi-dihydrophaseic acid
THR-Tyr
A dipeptide composed of L-threonine and L-tyrosine joined by a peptide linkage.
Progallin O
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3]. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3].
Artabsinolide D
Tipropidil
Anguidol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Epidihydrophaseic acid
Oxyhumulinic acid
Pisumic acid
Bisbynin
4,8-Dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one
Uracil,1,3-dimethyl-5,6-bis(N-methylacetamido)- (6CI)
Erteberel
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent C147908 - Hormone Therapy Agent
TRANS-3,4-DIFLUOROPHENYL 4-PROPYLCYCLOHEXANECARBOXYLATE
METHYL 3-(TERT-BUTOXYCARBONYLAMINO)-2-METHOXYISONICOTINATE
1-[(4-tert-butylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
1,1,3,3-Tetraethoxy-1,3-dimethyldisiloxane
C10H26O5Si2 (282.13187059999996)
5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic acid
[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]boronic acid
diethyl 2-ethyl-4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate
tert-butyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate hydrochloride
1-(IMINO-PIPERIDIN-1-YL-METHYL)-3-PHENYL-UREA HYDROCHLORIDE
2-(3-CHLORO-5-ETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C14H20BClO3 (282.11939500000005)
2-Propenoic acid, 3-[2-methyl-4-(phenylmethoxy)phenyl]-, methyl ester
5-TERT-BUTYL 2-METHYL 6,7-DIHYDROOXAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE
1-(6-HYDROXY-2,4-DIISOPROPOXY-3-METHOXYPHENYL)ETHANONE
4-(2-Chloro-ethoxy)-phenyl-4,4,5,5-tetramethyl-1,3,2dioxaborolane
C14H20BClO3 (282.11939500000005)
3-benzyl-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
2-Fluoro-4,5-dimethoxyphenylboronic acid,pinacol ester
C14H20BFO4 (282.14386020000006)
2-(2-(2-CHLOROETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C14H20BClO3 (282.11939500000005)
(4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3-METHOXYPHENYL)BORONIC ACID
(2-(((5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)OXY)METHYL)PHENYL)BORONIC ACID
C17H19BO3 (282.14271740000004)
1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
C14H20BClO3 (282.11939500000005)
4-(3-Thienylmethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
N-cyclopropyl-2-piperazin-1-ylpyridine-3-carboxamide,hydrochloride
Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester
N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-alanine ethyl ester
C14H19FN2O3 (282.13796360000003)
2,3-Dihydro-6-(3-(2-(hydroxymethyl)phenyl)-2-propen-1-yl)-5-benzofuranol
2,6-Piperazinedione, 4,4-(1,2-dimethyl-1,2-ethanediyl)bis-, rel-
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D004791 - Enzyme Inhibitors
N-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide
(3AS,4R,9BR)-4-(4-Hydroxyphenyl)-1,2,3,3A,4,9B-hexahydrocyclopenta[C]chromen-9-OL
2-(7-Amino-6-methyl-3H-pyrazolo[4,3-D]pyrimidin-3-YL)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
C11H16N5O4+ (282.12022360000003)
4-[5-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
N-(4-fluorophenyl)-N-hydroxyoctanediamide
C14H19FN2O3 (282.13796360000003)
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-
Merulin C, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
8-Hydroxy-4-(2-hydroxypropan-2-yl)-10-oxatricyclo[7.2.1.01,5]dodec-3-ene-8-carboxylic acid
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
(1R,4S,5R,8R,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
(2R)-2-amino-5-[2-(3,4-dihydroxyphenyl)ethylamino]-5-oxopentanoic acid
4-[[2-Amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]butanoic acid
3,5-Dimethoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3,5-Dimethoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3-(Ethoxycarbonyl)-6-isopropylhexahydro-2H-cyclohepta[b]furan-2,8(8aH)-dione
Scirpentriol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
(1r,5r,6r,8r,10s,13r,14r)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradec-2-ene-8,13,14-triol
5-acetyl-3,5-dimethoxy-2-methyl-4-(2-methylbutanoyl)cyclopent-2-en-1-one
11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
4-[(2s,3r)-3-(hydroxymethyl)-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]phenol
5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
3-hydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-3-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2-one
(2s,3e,6r)-6-hydroxy-2-(hydroxymethyl)-6-[(1r)-4-methyl-5-oxocyclohex-3-en-1-yl]hept-3-enoic acid
1,9-dihydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-3-ene-2,8-dione
2,6-dimethoxy-4-(5-methoxy-3,4-dimethyloxolan-2-yl)phenol
(1s,2s,4r,8r,9r,11r)-1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
5-(3-hydroxyprop-1-en-1-yl)-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 2-methylbut-2-enoate
(3s,3ar,4s,5as,6r,9as,9bs)-4,6,9a-trihydroxy-3,5a-dimethyl-9-methylidene-octahydronaphtho[1,2-b]furan-2-one
(1r,6r)-8,9-dihydroxy-9-(hydroxymethyl)-2,2,6-trimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodec-3-en-5-one
(1's,3r,3's,4r,5s,5's,6's,7's,8's)-4,5-dihydroxy-5',6',7',8'-tetramethyl-2'-oxaspiro[oxolane-3,4'-tricyclo[4.2.1.0³,⁷]nonan]-2-one
7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.0⁴,⁹.0⁴,¹³]pentadec-7-ene-1,12,15-triol
(1r,2s,6r,8s,9r,11r,13s,14s)-8,13-dimethyl-3-methylidene-5,12-dioxatetracyclo[7.5.0.0²,⁶.0¹¹,¹³]tetradecane-2,6,14-triol
3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-en-7-one
10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carbaldehyde
(1s,2r,4s,5r,8s,9r,12s,13r)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.0⁴,¹³.0⁸,¹³]pentadecan-10-one
2-(8-formyl-8,8a-dihydroxy-4a-methyl-hexahydro-1h-naphthalen-2-yl)prop-2-enoic acid
(1s,2s,5r,7r,8s,9s,12s)-8-hydroxy-5-(hydroxymethyl)-12-[(2r)-1-hydroxypropan-2-yl]-10-oxatetracyclo[7.2.1.0²,⁷.0⁵,⁷]dodecan-11-one
(1r,3s,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
(3r,3as,7r,9s,11as)-7-hydroperoxy-9-hydroxy-3,10-dimethyl-6-methylidene-3h,3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
(4as,5s,7as,8s,9as)-5,8,9a-trihydroxy-3,5,8-trimethyl-4h,4ah,6h,7h,7ah,9h-azuleno[6,5-b]furan-2-one
(5r,8r,8as)-5-hydroperoxy-8-[(2s)-1-hydroxypropan-2-yl]-5-methyl-6,7,8,8a-tetrahydro-3h-naphthalene-2-carboxylic acid
[(3as,4r,10r,10as)-10-hydroxy-2,6-diimino-octahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propane-1,2-diol
(6r)-6-hydroxy-3,5-dimethoxy-2,6-dimethyl-4-[(2r)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
(3ar,4s,5r,8s,8br)-5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
4,8-dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
4-[5-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-yl]phenol
(1s,4s,5s,8r,9r,11r)-5-hydroxy-4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.0¹,⁵.0⁹,¹¹]tridecan-3-one
(1s,4s,5s,8s,9s,11r)-5,8-dihydroxy-4,8,12,12-tetramethyl-2,10-dioxatetracyclo[7.4.0.0¹,⁵.0⁹,¹¹]tridecan-3-one
(1'r,3'r,4'r,6's)-1',3',4',6'-tetrahydroxy-2',2',4',6'-tetramethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
4-[(2s,3r)-3-(hydroxymethyl)-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]phenol
(1s,3s,5r,6s,8s,9e,11s,14s)-6,8-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-9-en-13-one
(1r,3r,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
2-(4-hydroxyphenyl)ethyl (3e)-4-phenylbut-3-enoate
1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
(1r,4r,6r,11r)-11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
(3ar,6s,7r,7as)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3ah-1-benzofuran-3-carbaldehyde
1-(3,7-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)ethanone
{"Ingredient_id": "HBIN001107","Ingredient_name": "1-(3,7-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)ethanone","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "44.72290442","CAS_id": "77305-81-8","SymMap_id": "SMIT09265","TCMID_id": "NA","TCMSP_id": "MOL007912","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α,2β,4β-trihydroxypseudoguaian-6β,12-olide
{"Ingredient_id": "HBIN002275","Ingredient_name": "1\u03b1,2\u03b2,4\u03b2-trihydroxypseudoguaian-6\u03b2,12-olide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C3(C1(C(CC3O)O)O)C)OC(=O)C2=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dehydrolarreatricin
{"Ingredient_id": "HBIN007330","Ingredient_name": "3,4-dehydrolarreatricin","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "CC1=C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C","Ingredient_weight": "282.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4939","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25775479","DrugBank_id": "NA"}
3'-hydroxy-4'-methoxy-4'-dehydroxynyasol
{"Ingredient_id": "HBIN008660","Ingredient_name": "3'-hydroxy-4'-methoxy-4'-dehydroxynyasol","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=C(C=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "282.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10395","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21575014","DrugBank_id": "NA"}
3'-methoxynyasin
{"Ingredient_id": "HBIN008841","Ingredient_name": "3'-methoxynyasin","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3''-methoxynyasol
{"Ingredient_id": "HBIN008842","Ingredient_name": "3''-methoxynyasol","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN009682","Ingredient_name": "(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CC(C23C14CC(=O)OCC2(C(C(C4)(O3)O)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7067","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7H-purin-3-ium-6-amine
{"Ingredient_id": "HBIN013196","Ingredient_name": "7H-purin-3-ium-6-amine","Alias": "7H-purin-3-ium-6-ylamine; 7224-92-2","Ingredient_formula": "C17H18N2O2","Ingredient_Smile": "C1=NC2=C(N1)C(=NC=[NH+]2)N","Ingredient_weight": "282.34","OB_score": "34.78964523","CAS_id": "7224-92-2","SymMap_id": "SMIT09183","TCMID_id": "NA","TCMSP_id": "MOL007817","TCM_ID_id": "NA","PubChem_id": "5231965","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde
{"Ingredient_id": "HBIN013939","Ingredient_name": "9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "NA","CAS_id": "147850-87-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7303","PubChem_id": "NA","DrugBank_id": "NA"}
alpinolide peroxide
{"Ingredient_id": "HBIN015755","Ingredient_name": "alpinolide peroxide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "87.66777816","CAS_id": "103425-26-9","SymMap_id": "SMIT02886","TCMID_id": "NA","TCMSP_id": "MOL000243","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arteannuin g
{"Ingredient_id": "HBIN016935","Ingredient_name": "arteannuin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artemisinin g
{"Ingredient_id": "HBIN016962","Ingredient_name": "artemisinin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "282.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02238","TCMID_id": "24677","TCMSP_id": "NA","TCM_ID_id": "6608","PubChem_id": "641668","DrugBank_id": "NA"}