Exact Mass: 320.1484
Exact Mass Matches: 320.1484
Found 500 metabolites which its exact mass value is equals to given mass value 320.1484,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mycophenolic acid
Mycophenolic acid is an an immunosuppresant drug and potent anti-proliferative, and can be used in place of the older anti-proliferative azathioprine. It is usually used as part of triple therapy including a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone. It is also useful in research for the selection of animal cells that express the E. coli gene coding for XGPRT (xanthine guanine phosphoribosyltransferase). L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant CONFIDENCE standard compound; INTERNAL_ID 8577 CONFIDENCE standard compound; INTERNAL_ID 2698 CONFIDENCE standard compound; INTERNAL_ID 4128 COVID info from COVID-19 Disease Map D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
Enoxacin
Enoxacin is only found in individuals that have used or taken this drug. It is a broad-spectrum 6-fluoronaphthyridinone antibacterial agent (fluoroquinolones) structurally related to nalidixic acid. [PubChem]Enoxacin exerts its bactericidal action via the inhibition of the essential bacterial enzyme DNA gyrase (DNA Topoisomerase II). J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3078
alpha-Zearalenol
Alpha-zearlenol is a nonsteroidal estrogen or mycoestrogen found in fungi belonging to the Fusarium genus including F. graminearum, F. culmorum, F. crookwellense, etc (PMID: 22095651), As a mycotoxin, alpha-zearalenol is a widely distributed compound that contaminates many crops, grains, and other commodities (PMID: 30830360). Alpha-zearalenol, is also a major hepatic metabolite of zearalenone (another mycotoxin). Zearalenone has two metabolites, alpha and beta zearalenol which are produced in the liver by 3α-hydroxisteroid dehydrogenase and 3β-hydroxisteroid dehydrogenase (PMID: 30830360). Like Alpha-zearlenol, zearalenone or F-2 mycotoxin is produced by certain Fusarium species. It causes infertility, abortion and other breeding problems in swine. Alpha-zearlenol is also produced synthetically and sold as Zeranol, which is used as an anabolic agent for cattle. Alpha-zearlenol exhibits strong growth-promoting properties, but its sale is restricted in Europe (PMID: 22095651). Alpha-zearalenol has three to four times the biological activity of zearalenone. Alpha-zearlenol contains a lactone ring in its structure and is structurally analogous to estrogen, thus it can bind to estrogen receptors, and causes hepatotoxic, hematotoxic, immunotoxic, genotoxic, teratogenic and carcinogenic effects on different animal species (PMID: 17045381).
Org 4333
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
beta-Zearalenol
Beta-zearalenol is a nonsteroidal estrogen or mycoestrogen found in fungi belonging to the Fusarium genus including F. graminearum, F. culmorum, F. crookwellense, etc (PMID: 22095651), As a mycotoxin, beta-zearalenol is a widely distributed compound that contaminates many crops, grains, and other commodities (PMID: 30830360). Beta-zearalenol is the beta epimer of alpha-zearalenol. It is also a major hepatic metabolite of zearalenone (another mycotoxin). Zearalenone has two major metabolites, alpha and beta zearalenol which are produced in the liver by 3α-hydroxisteroid dehydrogenase and 3β-hydroxisteroid dehydrogenase (PMID: 30830360). Beta-zearalenol is formed mainly in the liver but also to a lesser extent in the intestines during first-pass metabolism. It contains a lactone ring in its structure and is structurally analogous to estrogen, thus it can bind to estrogen receptors, and causes hepatotoxic, hematotoxic, immunotoxic, genotoxic, teratogenic and carcinogenic effects on different animal species (PMID: 17045381). However, beta-zearalenol is somewhat less active estrogenically than alpha-zearalenol. β-Zearalenol is a non-steroidal estrogenic mycotoxin synthesized by Fusarium species. β-Zearalenol potentially influences transcription and effects gene expression on translational level[1].
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a benzoate ester and a member of phenols. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a natural product found in Ageratina glechonophylla, Arnica montana, and other organisms with data available. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is found in fats and oils. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a constituent of various plant species including Madia sativa (Chile tarweed)
Oleacein
Constituent of Olea europaea (olive)and is) also from Jasminum grandiflorum (Royal jasmine). Oleacein is found in many foods, some of which are green vegetables, tea, herbs and spices, and olive. Oleacein is found in fats and oils. Oleacein is a constituent of Olea europaea (olive). Also from Jasminum grandiflorum (Royal jasmine).
Helipyrone
Helipyrone is found in herbs and spices. Helipyrone is a constituent of Helichrysum italicum (curry plant)
Formylfusarochromanone
Formylfusarochromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
Valproic acid glucuronide
Valproic acid glucuronide is the glucuronidation product of valproic acid. Valproic acid or 2-Propylpentanoic acid, is a chemical compound that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy and bipolar disorder, but also used to treat migraine headaches and schizophrenia. In epileptics, valproic acid is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome. Glucuronidation is a vital phase 2 metabolic (conjugative) process by which a wide range of drugs and other xenobiotics may be rendered water-soluble, detoxified and excreted. Acyl (ester) glucuronides (AGs) of carboxylic acids are potentially reactive metabolites. In particular, AGs are important phase 2 metabolites for a wide range of carboxylic acid-containing drugs. (PMID: 18201150, 17496767, 17496206) [HMDB] Valproic acid glucuronide is the glucuronidation product of valproic acid. Valproic acid, or 2-Propylpentanoic acid, is a chemical compound that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy and bipolar disorder, but also used to treat migraine headaches and schizophrenia. In epileptics, valproic acid is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome. Glucuronidation is a vital phase 2 metabolic (conjugative) process by which a wide range of drugs and other xenobiotics may be rendered water-soluble, detoxified and excreted. Acyl (ester) glucuronides (AGs) of carboxylic acids are potentially reactive metabolites. In particular, AGs are important phase 2 metabolites for a wide range of carboxylic acid-containing drugs. (PMID: 18201150, 17496767, 17496206).
Octanoylglucuronide
Octanoylglucuronide is a natural human metabolite of Octanoic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Octanoylglucuronide is a natural human metabolite of Octanoic acid generated in the liver by UDP glucuonyltransferase.
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
(4S,8R)-8,16,18-Trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid
Eterobarb
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Feprazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Lesopitron
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Zearalanone
Zoniporide
9-Propanoyl-10-hydroxy-3,11(13)-guaiadien-12,6-olide
[9S-(9R*,10E,11aS*)]-9-(acetyloxy)-5,6,9,11a-tetrahydro-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione
Artemexifolin
Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid
2-hydroxy-6-hydroxymethyl-4-methoxy-3-(2,4-octadienoyl)benzoic acid
5,6,7-TRIMETHOXY-8-(3-METHYL-2-OXOBUTYL)CHROMEN-2-ONE
7-hydroxymethyl-5-methoxy-4-oxo-2-(1-pentenyl)chroman-8-carboxylic acid
Melbex
Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
Isobutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester
rel-2R-Methyl-5S-acetoxy-4R-furanogermacr-1(10)Z-en-6-one
4-methoxy-3,5-bis-((E)-3-hydroxy-3-methyl-1-butenyl)benzoate
3,6-Dimethoxy-4,8-dihydroxy-4-(2-oxopropyl)-7-ethyl-1,4-dihydronaphthalene-1-one
1-[2-[(3,7-dimethyl-2,6-octadienyl)oxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
8-(2-acetoxy-3-hydroxyisopentyl)-7-methoxycoumarin
1-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dihydroxyphenyl]-2-hydroxyethanone
1-(4,6-dihydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propan-2-ol|2,3-Di-Me ether-1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol
(5S*,7R*,8S*,10S*)-2,3-Epoxy-14-acetoxy-15-hydroxyelema-1,3,11(13)-trien-8,12-olide
13-acetoxy-8alpha-hydroxy-7,11-dehydro-11,13-dihydroanhydroverlotorin
2-ethylhexanoic acid beta-D-glucuronide|O1-((R)-2-Aethyl-hexanoyl)-beta-D-glucopyranuronsaeure|O1-((R)-2-ethyl-hexanoyl)-beta-D-glucopyranuronic acid
3-O-desacetyl-1-oxoafraglaucolide|anomalactone C|[(9S*,10E,11aR*)-2,4,5,6,7,8,9,11a-octahydro-9-hydroxy-10-methyl-6-methylidene-2,7-dioxocyclodeca[b]furan-3-yl]methyl acetate
(5R)-5-(4-{(1S,5E)-5-{[(2S,3S)-3-ethyloxiran-2-yl]methylidene}-1-hydroxy-4-oxocyclopent-2-en-1-yl)butyl}dihydrofuran-2(3H)-one
3alpha-Acetoxy-3beta-deshydroxy-iso-seco-tanapartholide
2,3-Dihydro-3-hydroxy-4-phenyl-5,9-dimethoxy-1H-phenalene
rel-9alpha,11alpha-epoxy-1,4,8alpha-trihydroxy-2-methoxy-8abeta-methyl-5,6,7,8,8a,9,10,10abeta-octahydro-10-anthracenone
1,2-diguaiacylpropane-1,3-diol
A member of the class of propane-1,3-diols that is propane-1,3-diol substituted by 4-hydroxy-3-methoxyphenyl groups at positions 1 and 2 respectively.
6alpha-acetoxy-1beta-hydroxyperoxyguaia-4(15),10(14),11(13)-trien-8alpha,12-olide
15t-(4-hydroxy-phenyl)-pentadeca-2t,4t,6t,8t,10t,12t,14-heptaenoic acid|15t-(4-Hydroxy-phenyl)-pentadeca-2t,4t,6t,8t,10t,12t,14-heptaensaeure|Cortisalin
1beta,14,15-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
(10alphaH)-1alpha-hydroxy-6beta-(propanoyloxy)furanoeremophilan-9-one|1alpha-hydroxy-6beta-propionyloxy-10alphaH-9-oxofuranoeremophilane
2-ethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-7-oxobenzoxonin-8-acetic acid ethyl ester|phomopsin A
1-desoxy-1alpha-peroxy-rubicolin A-8-O-acetate|1-Desoxy-1alpha-peroxy-rupicolin A-8 (O)-acetat|1-desoxy-1alpha-peroxyrupicolin B-8-O-acetate
Formylfusarochromanone
1beta-hydroxy-6alpha-isobutyryloxy-9-noreremophil-7(11),8(10)-dien-8(12)-olide
Nigerapyrone B
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger.
1-(3-hydroxy-4-methoxyphenyl)-3-(2,4-dihydroxy-5-methoxyphenyl) propan-1-ol
(+)-(1R,5R,6R,7R,8S,10S)-8-acetoxy-10-hydroxy-2-oxoguai-3,11(13)-dien-6,12-olide|argyinolide B
(4S,4aR,5S,9aR)-2,4,4a,5,6,7,9,9a-octahydro-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl acetate
(2aS,5R,5aR,6aS,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-5-yl acetate|1beta-acetoxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
6-(6-hydroxy-4-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid|6-(6-hydroxy-4-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hex-4-enoic acid|6-(6-Hydroxy-4-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hex-4-ensaeure
(4S,4aR,5R,6S,9aR)-6-(acetyloxy)-4a,5,6,7,8,9a-hexahydro-4-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-6beta-methoxyeremophila-7(11),9(10)-dien-12,8beta-olide
(3R,10S)-10-hydroxy-5,10-dihydroisomucronulatol|oxytropisoflavan B
(5R)-5-(4-{(1S,5R)-1-hydroxy-4-oxo-5-[(3E)-2-oxopent-3-en-1-yl]cyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
8alpha-acetoxy-1alpha-hydroxy-3alpha,4alpha-epoxy-5alpha,7alphaH-9,11(13)-guaiadien-12,6alpha-olide
1alpha-acetoxy-8alpha-hydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide|1alpha-acetoxy-8alpha-hydroxy-2-oxoeudesman-3,7(11)-dien-8,12-olide
9beta-propionyloxy-1alpha,10beta-epoxyhaageanolide
7-Methoxy-8-(2-ethoxy-3-hydroxy-3-methylbutyl)coumarin
3-acetoxy-11betaH,13-didydroisabelin|3beta-acetoxy-11beta,13-dihydroisabelin
4-[(3aS,7S,9aR)-3,3a,5,6,7,8,9,9a-octahydro-7-hydroxy-3a-methyl-8-oxocyclopenta[b]chromen-1-yl]pentanoic acid|TCA A
(+)-miliusane X/XI|9beta-hydroxy-1beta-[4-(3,3-dimethyl-1beta,2beta/1alpha,2beta-oxiranyl)-2-methyl-but-1-enyl]-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
4-(O-(beta-D-glucopyranosyl)-(2-hydroxyethyl))-5,5-dimethyldihydrofuran-2(3H)-one|trachelinoside
2,3-Dihydro-2,3-Dihydroxy-5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-(2,3-dihydroxy-3-methyl-n-butyl)-benzofuran
14-Aldehyde,15-Ac-6,14,15-Trihydroxy-1,4,11-germacratrien-12,8-olide
Mycophenolic acid
A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant COVID info from COVID-19 Disease Map D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE isolated standard relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.098 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2808 Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
Tropisetron
Tropisetron Hydrochloride (SDZ-ICS-930) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor; α7-nicotinic receptor in vitro: Retinal ganglion cells(RGCs) pretreated with 100 nM tropisetron before glutamate increased cell survival to an average of 105\% compared to controls. Inhibition studies using the alpha7 nAChR antagonist, MLA (10 nM), support the hypothesis that tropisetron is an effective neuroprotective agent against glutamate-induced excitotoxicity; mediated by α7 nAChR activation. Tropisetron had no discernible effects on pAkt levels but significantly decreased p38 MAPK levels associated with excitotoxicity from an average of 15 ng/ml to 6 ng/ml [2]. Tropisetron, but not granisetron, significantly inhibits the phosphatase activity of calcineurin, over-expresses the CB(1) receptors at both transcriptional and protein levels, and reduces cAMP content in cerebellar granule neurons (CGNs) [4]. in vivo: Animals were treated intracerebroventricularly with tropisetron, mCPBG (selective 5-HT3 receptor agonist) or mCPBG plus tropisetron on days 1, 3, 5 and 7. Tropisetron significantly diminished the elevated levels of these markers and reversed the cognitive deficit. Interestingly, tropisetron was also found to be a potent inhibitor of calcineurin phosphatase activity [1]. tropisetron (5mg/kg/day) plus mCPBG (10mg/kg/day), and granisetron (5mg/kg/day) intraperitoneally on days 3-35 post-immunization. Treatment with tropisetron and granisetron markedly suppressed the clinical symptoms of EAE (p<0.001) and reduced leukocyte infiltration as well as demyelination in the spinal cord (p<0.05) [3].
3,3-methylenebis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one)
C18H24O5_Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
[(2R)-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
Mycophenolic-acid
[Raw Data] CBA66_Mycophenolic-acid_pos_50eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_40eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_30eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_20eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_10eV.txt
beta-zearalenol
β-Zearalenol is a non-steroidal estrogenic mycotoxin synthesized by Fusarium species. β-Zearalenol potentially influences transcription and effects gene expression on translational level[1].
Ala Gly Ser Ser
Ala Ser Gly Ser
Ala Ser Ser Gly
Gly Ala Ser Ser
Gly Gly Ser Thr
Gly Gly Thr Ser
Gly Ser Ala Ser
Gly Ser Gly Thr
Gly Ser Ser Ala
Gly Ser Thr Gly
Gly Thr Gly Ser
Gly Thr Ser Gly
Ser Ala Gly Ser
Ser Ala Ser Gly
Ser Gly Ala Ser
Ser Gly Gly Thr
Ser Gly Ser Ala
Ser Gly Thr Gly
Ser Ser Ala Gly
Ser Ser Gly Ala
Ser Thr Gly Gly
Thr Gly Gly Ser
Thr Gly Ser Gly
Thr Ser Gly Gly
helipyrone
MESTRANOL BICARBONATE
1-BOC-5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4-PIPERIDINE]
3-PHENYL-1-(PYRIDIN-2-YL)-5H-INDENO[1,2-C]PYRIDINE
Ethyl 5,8-dimethoxy-4-(methoxymethoxy)-2-naphthoate
tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate
4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline-6-carbaldehyde
6-(7-methyl-4-piperazin-1-yl-1H-quinazolin-2-ylidene)cyclohexa-2,4-dien-1-one
dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
4-methyl-N-[(Z)-[(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanylidene]amino]benzenesulfonamide
METHYL 2-(7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D][1,3]DIOXOL-5-YL)ACETATE
ETHYL 1-(4-CHLOROPHENYL)-4-PENTYL-1H-PYRAZOLE-3-CARBOXYLATE
1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
tert-butyl 2-oxo-N-(Cbz)-4-imidazolidine carboxylate
9-((3AR,4R,6R,6AR)-2,2-DIMETHYL-6-((METHYLAMINO)METHYL)TETRAHYDROFURO[3,4-D][1,3]DIOXOL-4-YL)-9H-PURIN-6-AMINE
(E)-3-[2-(Pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate
4-BENZYL-5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-1,2,4-TRIAZOLE-3-THIOL
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-FURO[3,2-B]PYRIDINE
2,5-DIBENZYLTETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE
Niraparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMine hydrochloride (1:2)
(methacryloxymethyl)bis(trimethylsiloxy)methylsilane
Methyl 2-acetoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Tropisetron hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Tropisetron Hydrochloride (SDZ-ICS-930) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor; α7-nicotinic receptor in vitro: Retinal ganglion cells(RGCs) pretreated with 100 nM tropisetron before glutamate increased cell survival to an average of 105\% compared to controls. Inhibition studies using the alpha7 nAChR antagonist, MLA (10 nM), support the hypothesis that tropisetron is an effective neuroprotective agent against glutamate-induced excitotoxicity; mediated by α7 nAChR activation. Tropisetron had no discernible effects on pAkt levels but significantly decreased p38 MAPK levels associated with excitotoxicity from an average of 15 ng/ml to 6 ng/ml [2]. Tropisetron, but not granisetron, significantly inhibits the phosphatase activity of calcineurin, over-expresses the CB(1) receptors at both transcriptional and protein levels, and reduces cAMP content in cerebellar granule neurons (CGNs) [4]. in vivo: Animals were treated intracerebroventricularly with tropisetron, mCPBG (selective 5-HT3 receptor agonist) or mCPBG plus tropisetron on days 1, 3, 5 and 7. Tropisetron significantly diminished the elevated levels of these markers and reversed the cognitive deficit. Interestingly, tropisetron was also found to be a potent inhibitor of calcineurin phosphatase activity [1]. tropisetron (5mg/kg/day) plus mCPBG (10mg/kg/day), and granisetron (5mg/kg/day) intraperitoneally on days 3-35 post-immunization. Treatment with tropisetron and granisetron markedly suppressed the clinical symptoms of EAE (p<0.001) and reduced leukocyte infiltration as well as demyelination in the spinal cord (p<0.05) [3].
Zoniporide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro-
1,2-Bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
(Z)-2-cyano-3-(7-methyl-2-piperidin-1-ylquinolin-3-yl)prop-2-enamide
3-(6-Aminopyridin-3-YL)-N-methyl-N-[(1-methyl-1H-indol-2-YL)methyl]acrylamide
feprazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Eterobarb
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
(3S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
(1s,2r)-1-(4-Hydroxy-3-Methoxyphenyl)-2-(2-Methoxyphenoxy)propane-1,3-Diol
2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
11beta-Chloromethylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
5,5-Dimethyl-2-[(4-phenylphenyl)hydrazinylidene]cyclohexane-1,3-dione
N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
14-Hydroxyplatensic Acid Methyl Ester
A polycyclic cage that is the methyl ester derivative of 14-hydroxyplatensic acid. It is isolated from Streptomyces platensis.
2-(3-acetyl-1-indolyl)-N-(2,4-dimethylphenyl)acetamide
1-(2-Methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole
(3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester
(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
(E)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
(2S)-2-[2-[[(2S)-2-azaniumyl-2-carboxylatoethyl]amino]-2-oxoethyl]-4-(2-azaniumylethylamino)-2-hydroxy-4-oxobutanoate
6-[1-oxo-3(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-methoxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
(E)-1-(7-methoxy-2,2-dimethylchromen-8-yl)-3-phenylprop-2-en-1-one
[(2R,3R,6S)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
cyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
4-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-(1-hydroxypropyl)-8,9-dihydrouro[2,3-h]chromen-2-one
(2S)-2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
5-Benzyl-2-(4-methylphenyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
enoxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
Octanoyl-beta-D-glucuronide
A carboxylic ester resulting from the formal condensation of the carboxylic acid group of octanoic (caprylic) acid with the anomeric hydroxy group of beta-D-glucuronic acid.
(1r,3s,4s,5e)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
(1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate
(3s,3ar,4s,9as,9br)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
10-{[2-(4-hydroxyphenyl)ethyl]azanidyl}-7-methyl-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,8(12),9-tetraen-7-ium-7-yl
(1r,3r,4s,5z,7s)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
4-[3-(hept-1-en-1-yl)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-7-oxo-5,6-dihydro-3h-1-benzopyran-4-yl acetate
(4r)-5,5-dimethyl-4-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxolan-2-one
(4r,4ar,5s,8r)-8-hydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-indeno[1,2-b]furan-4-yl 2-methylpropanoate
8-methoxy-3,6,10-trimethyl-4-oxo-5h,6h,7h,8h,11h-cyclodeca[b]furan-5-yl acetate
(9r,11as)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
4-[(3s)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propyl]-6-methoxybenzene-1,3-diol
3,6-dimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
[(1s,4r,6r,9z,11r)-4-formyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-9-yl]methyl acetate
(1r,2r,3r,6s,8e,11s)-3,8-dimethyl-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-dien-11-yl acetate
3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
{6-formyl-4-hydroxy-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
1-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2,6-dihydroxyphenyl)-2-hydroxyethanone
5-(4-{5-[(3-ethyloxiran-2-yl)methylidene]-1-hydroxy-4-oxocyclopent-2-en-1-yl}butyl)oxolan-2-one
(1s,2s,4r,5r,6r,9r)-12-ethyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.6.1.0²,⁴.0⁶,¹⁶.0¹¹,¹⁵]hexadec-11(15)-ene-7,14-dione
methyl 2-{[5-(2-hydroxypropan-2-yl)-2-oxooxolan-3-ylidene](methoxy)methyl}benzoate
(1r,2s,6r,7s,10s,12r,14s)-10-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl acetate
2-(3,4-dihydroxyphenyl)ethyl (3s,4e)-4-formyl-3-(2-oxoethyl)hex-4-enoate
(5r,6s,8s)-8-methoxy-3,6,10-trimethyl-4-oxo-5h,6h,7h,8h,11h-cyclodeca[b]furan-5-yl acetate
(1r,4r,4as,10as)-4,8-dihydroxy-1-(hydroxymethyl)-7-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
[(9s,11as)-9-hydroxy-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
5-methoxy-2-phenyl-8-(prop-1-en-2-yl)-4h,8h,9h-furo[2,3-h]chromene
2-(2,8-dihydroxy-8,8a-dimethyl-3,7-dioxo-1h-naphthalen-2-yl)prop-2-en-1-yl acetate
4-(acetyloxy)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
{9-hydroxy-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-3-yl}methyl acetate
4-[(3r,7s,13s)-13-hydroxy-3-methyl-10-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-6-yl]pentanoic acid
(3as,4s,5ar,9r,9as,9br)-9-hydroxy-5a,9-dimethyl-3-methylidene-2,6-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl acetate
(1r,6s,8r,9r,12s,15s)-3,15-dimethyl-4,13-dioxo-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2-en-9-yl acetate
(1s,2s,5s,6r,7s,12r,14s)-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-7-yl propanoate
methyl (1z,3r,5z,8z)-3-(acetyloxy)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylate
methyl (1r,19s)-8,16-diazahexacyclo[10.6.1.1¹⁰,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6,8,13-pentaene-10-carboxylate
(1r,2s,6s,7e,11s)-11-ethoxy-8-(hydroxymethyl)-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-5-yl propanoate
9-hydroxy-12-methyl-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,¹⁰.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,8,14-pentaen-11-one
(3ar,4s,6as,9ar,9bs)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
{4-formyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-9-yl}methyl acetate
(1r,2r,10s,13r,16s)-5,8,16-trihydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
(4s,6r)-6-[3-(2h-1,3-benzodioxol-5-yl)propyl]-4,6-dihydroxy-3-methoxycyclohex-2-en-1-one
6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
10,22-dioxokopsan
{"Ingredient_id": "HBIN000032","Ingredient_name": "10,22-dioxokopsan","Alias": "NA","Ingredient_formula": "C20H20N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6472","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-deacetyl-9-o-acetylsalograviolide a
{"Ingredient_id": "HBIN009308","Ingredient_name": "3-o-deacetyl-9-o-acetylsalograviolide a","Alias": "NA","Ingredient_formula": "C17H20O6","Ingredient_Smile": "CC(=O)OC1C(C2C(C3C(C1=C)CC(C3=C)O)OC(=O)C2=C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexan-1-one
{"Ingredient_id": "HBIN010487","Ingredient_name": "4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexan-1-one","Alias": "4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]cyclohexan-1-one; 4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]cyclohexan-1-one; 4-hydroxy-4-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-1-cyclohexanone","Ingredient_formula": "C14H24O8","Ingredient_Smile": "NA","Ingredient_weight": "320.34","OB_score": "5.432640913","CAS_id": "123563-44-0","SymMap_id": "SMIT05415","TCMID_id": "NA","TCMSP_id": "MOL003326","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate
{"Ingredient_id": "HBIN014031","Ingredient_name": "9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate","Alias": "9-acetoxy-8,10-epoxy-6-hydroxythymol3-o-angelate","Ingredient_formula": "C17H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "320.37","OB_score": "61.44265872","CAS_id": "NA","SymMap_id": "SMIT01008","TCMID_id": "186","TCMSP_id": "MOL000588","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
