Exact Mass: 341.07824459999995
Exact Mass Matches: 341.07824459999995
Found 336 metabolites which its exact mass value is equals to given mass value 341.07824459999995,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aristolochic acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
Propiconazole
C15H17Cl2N3O2 (341.06977620000004)
CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9692; ORIGINAL_PRECURSOR_SCAN_NO 9687 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9695; ORIGINAL_PRECURSOR_SCAN_NO 9694 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9733; ORIGINAL_PRECURSOR_SCAN_NO 9731 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9714; ORIGINAL_PRECURSOR_SCAN_NO 9713 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2400 C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 212 CONFIDENCE standard compound; INTERNAL_ID 8415 CONFIDENCE standard compound; INTERNAL_ID 2576 CONFIDENCE standard compound; INTERNAL_ID 4035 KEIO_ID T108; [MS2] KO009255 KEIO_ID T108
2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
protodeoxyviolaceinic acid
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.
Alpha-hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
Alpha-hydroxymidazolam is a metabolite of midazolam. Midazolam, marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Gravacridonediol
Gravacridonediol is found in herbs and spices. Gravacridonediol is an alkaloid from the root tissue cultures of Ruta graveolens (rue
4-Hydroxynornantenine
4-Hydroxynornantenine is found in herbs and spices. 4-Hydroxynornantenine is an alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). Alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). 4-Hydroxynornantenine is found in herbs and spices.
7-Chloro-6-demethylcepharadione B
C18H12ClNO4 (341.04548220000004)
7-Chloro-6-demethylcepharadione B is found in herbs and spices. 7-Chloro-6-demethylcepharadione B is an alkaloid from Houttuynia cordata (Yu Xing Cao).
4-hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
4-hydroxymidazolam is a metabolite of midazolam. Midazolam (marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Alkaloid A6
Alkaloid A6 is found in herbs and spices. Alkaloid A6 is an alkaloid A6 is an alkaloid from callus cultures of several Ruta species. Alkaloid from callus cultures of several Ruta subspecies Alkaloid A6 is found in herbs and spices.
HBOA glucuronide
2-Hydroxy-1,4-benzoxazin-3-one glucuronide (HBOA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
2-Hydroxy-1,4-benzoxazin-3-one glucuronide
Iberin-cysteine-glycine
(2,5-Dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
C14H19N3O5S (341.10453640000003)
(2,5-Dioxopyrrolidin-1-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
C14H19N3O5S (341.10453640000003)
N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide
C15H13F2NO4S (341.05333220000006)
Nep-IN-2
6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
PF-06409577 is a potent and selective allosteric activator of AMPK α1β1γ1 isoform with an EC50 of 7 nM.
7,8-Dimethoxy-1-(4-nitrophenyl)-3,5-dihydro-2,3-benzodiazepin-4-one
C17H15N3O5 (341.10116600000003)
Linotroban
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
sialic acid thiol
C11H19NO9S (341.07804840000006)
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
3-Amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
4-methylthiobutyldesulfoglucosinolate
4-methylthiobutyldesulfoglucosinolate is a member of the class of compounds known as thioglycosides. Thioglycosides are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond. 4-methylthiobutyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylthiobutyldesulfoglucosinolate can be found in a number of food items such as grapefruit/pummelo hybrid, winged bean, european cranberry, and eggplant, which makes 4-methylthiobutyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
Aristolochic acid III
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro- is a natural product found in Aristolochia argentina, Aristolochia clematitis, and other organisms with data available.
7-Chloro-6-demethylcepharadione B
C18H12ClNO4 (341.04548220000004)
(+)-1,2-Dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine
N-({[4-(Trifluoromethoxy)anilino]carbonyl}oxy)pyrazine-2-carboximidamide
C13H10F3N5O3 (341.07357060000004)
5,6-dimethoxy-2-(3,4-dimethoxyphenyl)-1h-quinolin-4-one
(+)-1,2-dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine|S-(+)-3-hydroxynornantenine trifluoroacetic acid salt
N-[4-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester
desulfo-4-(methylsulfinyl)butyl GL|desulfoglucoraphanin|DS-GRA
methyl (3aR,11bR)-2,3-dihydro-11-hydroxy-10-methoxy-3-methyl-4-oxo-1H-benzo[6,7]indeno[1,7a-b]pyrrole-3a(4H)-carboxylate|sinoraculine
iotrochamide A|N-(Z)-2-methoxycinnamoyl-L-tyrosine
3,5-Bis(4-hydroxy-3-methoxyphenyl)-5,6-dihydropyridine-2(1H)-one
1-hydroxy-2,3,9-trimethoxy-7H-dibenzoquinoline-7-one|sinofranine
Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-,2-hydroxyethyl ester
C16H14F3NO4 (341.08748800000006)
(-)-8-oxo-2,11-dihydroxy-3,10-dimethoxyberberine|coreximine
(-)-8-oxo-3,10-dihydroxy-9,11-dimethoxy-5,6,13,14-tetrahydroberberine|pendulamine A
bisindolylmaleimide v
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
1-Hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam. CONFIDENCE standard compound; INTERNAL_ID 2277
PROPICONAZOLE
C15H17Cl2N3O2 (341.06977620000004)
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-Hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam.
PC(2:0/2:0)
PC(2:0/2:0)[S]
Ro 31-6045
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
Biotin NHS
C14H19N3O5S (341.10453640000003)
Gravacridonediol
An acridone derivative with formula C19H19NO5. It is isolated from the roots of Ruta graveolens and Thamnosma rhodesica.
4-Hydroxynornantenine
9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
3-[3-(1,3-benzodioxol-5-yloxy)-2-oxopyrrolidin-1-yl]benzoic acid
2-Naphthalenecarboxamide,N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
Climazolam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-METHOXY-5-NITRO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C15H10F3NO5 (341.05110460000003)
N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
C14H10F3N3O4 (341.06233760000003)
(1R,4S) Sertraline Hydrochloride
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine
tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)MALONIC ACID
4-BOC-1-(6-BROMO-2-PYRIDYL)PIPERAZINE
C14H20BrN3O2 (341.07388000000003)
tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
N-methyl-1-(5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)methanamine
3-(1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl)acrylic acid
4-TRIMETHYLAMMONIUM-2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYL IODIDE
Benzenesulfonamide,N-ethyl-4-methyl-N-(5-phenyl-2-furanyl)-
VU0152100
VU0152100 (VU152100) is a highly selective mAChR positive allosteric modulator (permeable to the blood-brain barrier). VU0152100 reverses Amphetamine-induced hypermotility in rats and increased levels of extracellular dopamine in nucleus accumbens and caudate-putamen. VU0152100 has good research potential in psychosis and cognitive impairment associated with mental disorders such as schizophrenia[1][2].
BENZYL 1,1-DICHLORO-2-OXO-7-AZASPIRO[3.5]NONANE-7-CARBOXYLATE
C16H17Cl2NO3 (341.05854320000003)
3-(5-Fluoro-2,4-dinitroanilino)-2,2,5,5,-tetramethyl-1-pyrrolidinyloxy
tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
N-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide
C14H10F3N3O4 (341.06233760000003)
3-amino-2-nitro-1-phenyl-9,10-dihydrophenanthrene-4-carbonitrile
cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride
methyl (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
FK 3311
C15H13F2NO4S (341.05333220000006)
(E)-4-Methyl-N-(1-(2-(trifluoroMethyl)phenyl)ethylidene)benzenesulfonaMide
C16H14F3NO2S (341.06973000000005)
2-(2-METHYL-1H-BENZO[D]IMIDAZOL-1-YL)-PROPANOIC ACID
C15H10F3NO5 (341.05110460000003)
tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
3-CHLORO-N-METHYL-N-((3-(P-TOLYL)-1,2,4-OXADIAZOL-5-YL)METHYL)BENZAMIDE
tert-butyl 4-(5-bromopyridin-3-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-5-CHLORONICOTINIC ACID
4-chloro-N-(2-methylquinolin-6-yl)-2-nitrobenzamide
Benzamide, 3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)-
C19H13F2NO3 (341.0863452000001)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Palifosfamide tromethamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
2,5-Dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
C14H19N3O5S (341.10453640000003)
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
5-Fluorocytidine 5-(dihydrogen phosphate)
C9H13FN3O8P (341.04242800000003)
2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
C18H16FN3O3 (341.11756379999997)
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]isoxazole
4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
C15H17Cl2N3O2 (341.06977620000004)
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-OL
1-Hydroxy-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-phenylpyrrole
Sertraline hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
6-Hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
C20H11N3O3 (341.08003759999997)
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamide
Sulfanyl 5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
C11H19NO9S (341.07804840000006)
4-[[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester
2-(1H-benzimidazol-2-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C17H15N3O3S (341.0834080000001)
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide
4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
C18H16ClN3S (341.07534060000006)
2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxylic Acid
C15H10F3NO3S (341.0333466000001)
1-(3,5-Dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
3-chloro-N-propan-2-yl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
N-(2-furanylmethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide
1-(5-Chloro-2-methoxyphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
C17H15N3O3S (341.0834080000001)
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-thiazolidine-2,4-dione
1-[4-[(2-Hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone
C17H15N3O3S (341.0834080000001)
[4-(2-Methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione
2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide
2-Deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-phosphate
C9H16N3O9P (341.06241360000007)
2,4,7,9-tetrahydroxy-6-methyl-8-(2-methylbut-3-en-2-yl)-1-oxo-1H-phenalen-3-ol
(4-Fluorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
Cytidine 5-monophosphate (hydrate)
C9H16N3O9P (341.06241360000007)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
5-(1,4-Diazepan-1-ylsulfonyl)-4-(difluoromethyl)isoquinoline
C15H17F2N3O2S (341.10094860000004)
2,3,9-Trihydroxy-7-methyl-5-(2-methylbut-3-en-2-yl)-4,6-dioxophenalen-1-olate
INDOLE-1-ACETIC ACID, 3-(p-FLUOROBENZOYL)-6-METHOXY-2-METHYL-
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentanoate
Aristolochic_acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
2-Phenethylsulfanyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
2-deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-monophosphate
C9H16N3O9P (341.06241360000007)
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having 5,6-dihydroxy-5,6-dihydrocytosine as the nucleobase. It is a metabolite produced by the bacterium Mycoplasma genitalium.
(9bs,11r)-7,8,11-trimethoxy-2h,10h,11h-indolo[7a,1-a]isoquinoline-4,5-dione
4-methoxy-3-methyl-6-[4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
8-chloro-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
C18H12ClNO4 (341.04548220000004)
9'-hydroxy-7',8'-dimethoxy-1',5',6',10'b-tetrahydrospiro[cyclohexane-1,2'-pyrrolo[2,1-a]isoquinoline]-2,5-diene-3',4-dione
methyl 8-hydroxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
(12bs)-3,4-dihydroxy-10,11-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
(5s)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
4-methoxy-3-methyl-6-[(2e,4e)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-15-ol
(11r,12s)-18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
4-[(3e,5e)-6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
C17H21Cl2NS (341.07716860000005)
Annosqualine
{"Ingredient_id": "HBIN016232","Ingredient_name": "Annosqualine","Alias": "NA","Ingredient_formula": "C19H19NO5","Ingredient_Smile": "COC1=C2CCN3C(C2=CC(=C1OC)O)CC4(C3=O)C=CC(=O)C=C4","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12096980","DrugBank_id": "NA"}
Ariskanin A
{"Ingredient_id": "HBIN016753","Ingredient_name": "Ariskanin A","Alias": "AC1NSZ0Y; ariskanin a; methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate; 128397-31-9","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "COC1=C(C2=C(C(=C1)C(=O)OC)C(=CC3=CC=CC=C32)[N+](=O)[O-])OC","Ingredient_weight": "341.31","OB_score": "109.5065256","CAS_id": "128397-31-9","SymMap_id": "SMIT11790;SMIT14370","TCMID_id": "1691","TCMSP_id": "MOL010799","TCM_ID_id": "21669","PubChem_id": "5320068","DrugBank_id": "NA"}
aristolochic acid b ii methyl ester
{"Ingredient_id": "HBIN016803","Ingredient_name": "aristolochic acid b ii methyl ester","Alias": "NA","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),9,11,14(18)-tetraene-8,15-dione
(12s)-18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
(2r)-2-[(2s)-1,2-dihydroxypropan-2-yl]-5-hydroxy-11-methyl-1h,2h-furo[2,3-c]acridin-6-one
(2z,7z)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
5-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)-2h-1,3-benzodioxol-4-ol
(1s,4s,5r)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),9,11,14(18)-tetraene-8,15-dione
1-(7-methoxyquinolin-4-yl)-9h-pyrido[3,4-b]indol-3-ol
(7r,13s,17s)-16-hydroxy-5,14,15-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,9,11,14-hexaen-8-one
1,3,5-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-10-methylacridin-9-one
4-[6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
C17H21Cl2NS (341.07716860000005)
(2z,5s,7z)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
2,11-dihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
3-hydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2(6),3,7(15),8,10,12,17(24),18,20-decaen-5-one
C20H11N3O3 (341.08003759999997)
(1r,12r)-16-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-20-ium-20-olate
(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
2-(2-hydroxy-4-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile
14,16-dimethoxy-8-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,13(17),14-heptaene-5,8,15-triol
(1r,12r,20r)-16-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-20-ium-20-olate
6,14-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
C20H11N3O3 (341.08003759999997)
14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
(12s)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
(12bs)-3,10-dihydroxy-2,4-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
7,8,11-trimethoxy-2h,10h,11h-indolo[7a,1-a]isoquinoline-4,5-dione
(2r)-2-(3-hydroxy-4-methoxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
2-(3-hydroxy-4-methoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-17-ol
methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate
16-hydroxy-5,14,15-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,9,11,14-hexaen-8-one
7-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
3-hydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2,6,8(13),9,11,14,17,19,21(24)-decaen-5-one
C20H11N3O3 (341.08003759999997)
3,4-dihydroxy-10,11-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
5-{[4-(2h-1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino}-2-hydroxy-3-methylimidazol-4-one
C16H15N5O4 (341.11239900000004)
3-(4-hydroxyphenyl)-n-[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]prop-2-enimidic acid
10-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
1,3,5-trihydroxy-2-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-10-methylacridin-9-one
3,10-dihydroxy-2,4-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene-13,18-diol
(12bs)-2,11-dihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
5-hydroxy-16-oxa-4,14,18-triazahexacyclo[15.7.0.0²,⁶.0⁷,¹⁵.0⁸,¹³.0¹⁹,²⁴]tetracosa-1(17),2(6),4,7(15),8(13),9,11,19(24),20,22-decaen-3-one
C20H11N3O3 (341.08003759999997)
(12r,15s)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-15-ol
(12s)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
4-methoxy-3,5-dimethyl-6-[3-methyl-4-(4-nitrophenyl)buta-1,3-dien-1-yl]pyran-2-one
(3s,6z)-3-[2-hydroxy-2-(c-hydroxycarbonimidoylimino)ethyl]-6-(1h-indol-3-ylmethylidene)-3h-pyrazine-2,5-diol
C16H15N5O4 (341.11239900000004)