Exact Mass: 188.0797264
Exact Mass Matches: 188.0797264
Found 500 metabolites which its exact mass value is equals to given mass value 188.0797264,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. (Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
Antipyrine
C11H12N2O (188.09495819999998)
An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29) N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Vasicine
C11H12N2O (188.09495819999998)
Annotation level-1 (±)-Vasicine is the racemate of Vasicine. Vasicine (Peganine) significantly inhibits H+-K+-ATPase activity?in vitro?with an IC50 of 73.47?μg/mL. Anti-ulcer activity. Vasicine shows significant anti-secretory, antioxidant and?cytoprotective?effect[1].
(3S)-3-Hydroxy-L-enduracididine
A non-proteinogenic L-alpha-amino acid that is L-serine substituted at position 3 by a 2-iminoimidazolidin-4-yl group.
Tabtoxinine-delta-lactam
C7H12N2O4 (188.07970319999998)
A delta-lactam that is L-pipecolic acid carrying additional hydroxy and aminomethyl substituents at position 5 as well as an oxo substituent at position 6.
Vasicine
C11H12N2O (188.09495819999998)
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol is a member of quinazolines. (±)-Vasicine is the racemate of Vasicine. Vasicine (Peganine) significantly inhibits H+-K+-ATPase activity?in vitro?with an IC50 of 73.47?μg/mL. Anti-ulcer activity. Vasicine shows significant anti-secretory, antioxidant and?cytoprotective?effect[1].
N-Acetylglutamine
C7H12N2O4 (188.07970319999998)
N-Acetyl-L-glutamine (NAcGln) or N-Acetylglutamine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylglutamine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglutamine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-glutamine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT‚Äôs (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylglutamine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free glutamine can also occur. In particular, N-Acetylglutamine can be biosynthesized from L-glutamine and acetyl-CoA by the enzyme glutamine N-acyltransferase (EC 2.3.1.68). Excessive amounts N-acetyl amino acids including N-acetylglutamine (as well as N-acetylglycine, N-acetylserine, N-acetylmethionine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylthreonine, N-acetylisoleucine, and N-acetylvaline) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglutamine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-acetylglutamine can be used for parenteral nutrition as a source of glutamine since glutamine is too unstable whereas N-acetylglutamine is very stable. In patients treated with aminoglycosides and/or glycopeptides, an elevation of N-acetylglutamine in urine suggests renal tubular injury. N-Acetylglutamine (GIcNAc) is a modified amino acid (an acetylated analogue of glutamine), a metabolite present in normal human urine. The decomposition products of GIcNAc have been identified by NMR and HPLC-MS as N-acetyl-L-glutamic acid, N-(2,6-dioxo-3-piperidinyl) acetamide, pyroglutamic acid, glutamic acid, and glutamine. GIcNAc is used for parenteral nutrition as a source of glutamine, since glutamine is too unstable, but GIcNAc is very stable. In patients treated with aminoglycosides and/or glycopeptides, elevation GIcNAc in urine suggests renal tubular injury. High amounts of N-acetylated amino acids (i.e.: N-Acetylglutamine) were detected patient with aminoacylase I deficiency (EC 3.5.1.14, a homodimeric zinc-binding metalloenzyme located in the cytosol), a novel inborn error of metabolism. (PMID: 15331932, 11312773, 7952062, 2569664, 16274666) [HMDB] C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
Tetrahydro-2,5-furan-diacetic acid
Tetrahydro-2,5-furan-diacetic acid belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups
Trigoforin
Constituent of Trigonella foenum-graecum (fenugreek). Trigoforin is found in herbs and spices and fenugreek. Trigoforin is found in fenugreek. Trigoforin is a constituent of Trigonella foenum-graecum (fenugreek)
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
3-(2-methylpropylidene)-1(3h)-isobenzofuranone is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position. 3-(2-methylpropylidene)-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-(2-methylpropylidene)-1(3h)-isobenzofuranone can be found in wild celery, which makes 3-(2-methylpropylidene)-1(3h)-isobenzofuranone a potential biomarker for the consumption of this food product. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is found in green vegetables. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is a odorous constituent of celer
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is found in herbs and spices. (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is isolated from roots of Chrysanthemum coronarium (chop-suey greens
Glycylhydroxyproline
C7H12N2O4 (188.07970319999998)
Glycylhydroxyproline is likely a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of collagen. [HMDB]
N-(2,5-Dihydroxyphenyl)pyridinium(1+)
C11H10NO2+ (188.07115000000002)
N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits. N-(2,5-Dihydroxyphenyl)pyridinium(1+) is isolated from the leaves of Punica granatum (pomegranate). Isolated from the leaves of Punica granatum (pomegranate). N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits.
Allyl cinnamate
Allyl cinnamate is a flavouring agent. Flavouring agent
Indolepropionamide
C11H12N2O (188.09495819999998)
Indolepropionamide (IPAM) is a product of tryptophan metabolism formed by symbiotic bacteria in the gastrointestinal tract of mammals. In particular, IPAM is an amide derivatization product of indole-3-propionic acid (IPA). IPAM reduces reactive oxygen species by inhibiting oxidative phosphorylation in complex I of the electron transport chain and acts as a stabilizer of energy metabolism, thereby reducing reactive oxygen species (ROS) production. In contrast to indole-3-propionic acid which bears a polar carboxyl group that is ionized at physiological pH carrying a negative charge, IPAM is non-polar and has sufficient lipophilicity to penetrate through biological membranes. In contrast to melatonin, IPAM is a "reversed amide" lacking the methoxy group as an aromatic substituent. In contrast to IPAM, melatonin is quickly metabolized in the liver by hydroxylation and excreted as the glucuronide or sulfate conjugate of 6-hydroxymelatonin (a pro-oxidant metabolite). IPAM, however, has a long half-life and no pro-oxidant activity (PMID: 20421998).
gamma-Glutamylacetamide
C7H12N2O4 (188.07970319999998)
H-Hyp-gly-OH
C7H12N2O4 (188.07970319999998)
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol
C11H12N2O (188.09495819999998)
(E)-Butylidene phthalide
(e)-butylidene phthalide, also known as 3-butylidene-1(3h)-isobenzofuranone, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (e)-butylidene phthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e)-butylidene phthalide can be found in wild celery, which makes (e)-butylidene phthalide a potential biomarker for the consumption of this food product. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-carbaldehyde
2-ethyl-1-methylquinazolin-4(1h)-one
C11H12N2O (188.09495819999998)
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
5-(4-aminophenyl)-2,4-pentadienamide
C11H12N2O (188.09495819999998)
2-Methyl-7,8-dihydro-6H-indeno<4,5-b>thiophen|2-Methyl-7,8-dihydro-6H-indeno[4,5-b]thiophen
1,8-Decadiene-3,6-diyn-5-ol-(Z)-form-Ac|5-acetoxy-deca-1,8Z-diene-3,6-diyne
(E)-N-(4-aminobutyl)-3-methylthio-prop-2-enamide|(E)-N-[3-(methylthio)propenoyl]-4-amino-1-butanamide|hemileptaglin
1-Alcohol-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid enzoic acid|4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzyl alcohol|eutypinol
antipyrine
C11H12N2O (188.09495819999998)
A member of the class of pyrazoles that is 1,2-dihydropyrazol-3-one substituted with methyl groups at C-1 and C-5 and with a phenyl group at N-2. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2273 INTERNAL_ID 2273; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4068 CONFIDENCE standard compound; EAWAG_UCHEM_ID 338
peganine
C11H12N2O (188.09495819999998)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
Phenazone
C11H12N2O (188.09495819999998)
CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6322; ORIGINAL_PRECURSOR_SCAN_NO 6320 N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6343; ORIGINAL_PRECURSOR_SCAN_NO 6341 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6369; ORIGINAL_PRECURSOR_SCAN_NO 6367 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6347; ORIGINAL_PRECURSOR_SCAN_NO 6344 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6363; ORIGINAL_PRECURSOR_SCAN_NO 6361 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6409; ORIGINAL_PRECURSOR_SCAN_NO 6408 CONFIDENCE standard compound; INTERNAL_ID 347; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) INTERNAL_ID 347; CONFIDENCE standard compound; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); CONFIDENCE Reference Standard (Level 1) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2652 CONFIDENCE standard compound; INTERNAL_ID 8546
N-Acetyl-glutamine; AIF; CE0; CorrDec
C7H12N2O4 (188.07970319999998)
N-Acetyl-glutamine; AIF; CE10; CorrDec
C7H12N2O4 (188.07970319999998)
N-Acetyl-glutamine; AIF; CE30; CorrDec
C7H12N2O4 (188.07970319999998)
N-Acetyl-glutamine; AIF; CE0; MS2Dec
C7H12N2O4 (188.07970319999998)
N-Acetyl-glutamine; AIF; CE10; MS2Dec
C7H12N2O4 (188.07970319999998)
N-Acetyl-glutamine; AIF; CE30; MS2Dec
C7H12N2O4 (188.07970319999998)
Aceglutamide
C7H12N2O4 (188.07970319999998)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
N-(2,5-Dihydroxyphenyl)pyridinium(1+)
C11H10NO2+ (188.07115000000002)
1-hydroxy-4,5-dimethyl-2-phenylimidazole
C11H12N2O (188.09495819999998)
(5-METHOXY-INDOL-3-YLETHYL)-HYDRAZINE
C11H12N2O (188.09495819999998)
1H-Benzimidazole,1-acetyl-5,6-dimethyl-(9CI)
C11H12N2O (188.09495819999998)
5-Methoxy-2-(1H-pyrrol-1-yl)aniline
C11H12N2O (188.09495819999998)
2,3-Dimethyl-2,3-butanediamine Dihydrochloride
C6H18Cl2N2 (188.08469680000002)
(L)-2-DIAZOACETYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
1H-Benzimidazole,2-(tetrahydro-2-furanyl)-(9CI)
C11H12N2O (188.09495819999998)
2(1H)-QUINOXALINONE, 1-ETHYL-3-METHYL-
C11H12N2O (188.09495819999998)
1-(2-AMINO-PHENYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTER
2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-
2-(AMINOMETHYL)-N,N-DIMETHYLPYRIMIDIN-5-AMINE HYDROCHLORIDE
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylic acid
2-(1-Methyl-1H-indol-3-yl)acetamide
C11H12N2O (188.09495819999998)
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)PYRIDIN-3-OL
C11H12N2O (188.09495819999998)
[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol
C11H12N2O (188.09495819999998)
2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole
C11H12N2O (188.09495819999998)
furan-2-ylmethyl-pyridin-4-ylmethyl-amine
C11H12N2O (188.09495819999998)
Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aS)- (9CI)
C11H12N2O (188.09495819999998)
2,2,2-TRIFLUORO-1-PYRIDIN-3-YLETHYLAMINE HYDROCHLORIDE
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride
Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aR)- (9CI)
C11H12N2O (188.09495819999998)
(5-(p-Tolyl)-1H-pyrazol-3-yl)Methanol
C11H12N2O (188.09495819999998)
1-benzyl-3-methyl-2-pyrazolin-5-on
C11H12N2O (188.09495819999998)
2-benzyl-5-methyl-1H-pyrazol-3-one
C11H12N2O (188.09495819999998)
(1-Benzyl-1H-imidazol-5-yl)methanol
C11H12N2O (188.09495819999998)
(1-METHYL-1H-INDOL-3-YL)-METHYLAMINE
C11H12N2O (188.09495819999998)
2-CYANO-N-(2,5-DIMETHYL-PHENYL)-ACETAMIDE
C11H12N2O (188.09495819999998)
N-METHYL-[6-(2-FURYL)PYRID-3-YL]METHYLAMINE
C11H12N2O (188.09495819999998)
2(3H)-Furanone,dihydro-3-methylene-5-(phenylmethyl)-
(S)-2-Acetamido-5-amino-5-oxopentanoic acid
C7H12N2O4 (188.07970319999998)
2,2-Difluoro-2-(4-methoxyphenyl)ethanol
C9H10F2O2 (188.06488240000002)
METHYL 2,5-DIHYDRO-2,5-DIMETHOXY-2-FURANCARBOXYLATE
(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL
C11H12N2O (188.09495819999998)
3-METHYL-1-(P-TOLYL)-1H-PYRAZOL-5-OL
C11H12N2O (188.09495819999998)
Quinoxaline,6-methoxy-2,3-dimethyl-
C11H12N2O (188.09495819999998)
2-(2-ethenylphenyl)-1,3,2-dioxaborinane
C11H13BO2 (188.10085480000004)
2-Cyano-N-(2,6-dimethylphenyl)acetamide
C11H12N2O (188.09495819999998)
7-PHENYL-3,4-DIHYDRO-1H-1,4-DIAZEPIN-5(2H)-ONE
C11H12N2O (188.09495819999998)
3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
1H-IMIDAZOLE-1-ETHANOL, .ALPHA.-PHENYL-
C11H12N2O (188.09495819999998)
Pyrido[1,2-a]benzimidazol-2-ol, 1,2,3,4-tetrahydro- (9CI)
C11H12N2O (188.09495819999998)
1-(4-methoxyphenyl)-4-methylimidazole
C11H12N2O (188.09495819999998)
4-(5-ethynylpyridin-2-yl)morpholine
C11H12N2O (188.09495819999998)
[3-(1H-PYRAZOL-1-YLMETHYL)PHENYL]METHANOL
C11H12N2O (188.09495819999998)
N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine
C11H12N2O (188.09495819999998)
N1,N1-DIETHYLETHANE-1,2-DIAMINE DIHYDROCHLORIDE
C6H18Cl2N2 (188.08469680000002)
2-AMINO-6-METHOXY-3-METHYLQUINOLINE
C11H12N2O (188.09495819999998)
2-cyano-N-[(4-methylphenyl)methyl]acetamide
C11H12N2O (188.09495819999998)
(2-METHYL-2H-PYRAZOL-3-YL)-PHENYL-METHANOL
C11H12N2O (188.09495819999998)
(4-HYDRAZINO-3-METHOXY-PHENYL)-PHENYL-AMINE
C11H12N2O (188.09495819999998)
3-(3-DIMETHYLAMINO-PHENYL)-3-OXO-PROPIONITRILE
C11H12N2O (188.09495819999998)
3-(4-Dimethylamino-phenyl)-3-oxo-propionitrile
C11H12N2O (188.09495819999998)
1H-Imidazole-2-methanol,1-(phenylmethyl)-
C11H12N2O (188.09495819999998)
C-(3-O-TOLYL-ISOXAZOL-5-YL)-METHYLAMINE
C11H12N2O (188.09495819999998)
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
C11H12N2O (188.09495819999998)
1H-Benzimidazole-2-carboxaldehyde,1-propyl-(9CI)
C11H12N2O (188.09495819999998)
1H-Benzimidazole-2-carboxaldehyde,1-(1-methylethyl)-(9CI)
C11H12N2O (188.09495819999998)
(R)-1-(3,5-DIFLUOROPYRIDIN-2-YL)-2-METHOXYETHANAMINE
(E)-4-(2-(CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUMSALT
5-Ethyl-3-(p-tolyl)-1,2,4-oxadiazole
C11H12N2O (188.09495819999998)
N1-(4-CYANO-2-ETHYLPHENYL)ACETAMIDE
C11H12N2O (188.09495819999998)
(4-(2-Methyl-1H-imidazol-1-yl)phenyl)methanol
C11H12N2O (188.09495819999998)
1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-(9CI)
C11H12N2O (188.09495819999998)
1H-Benzimidazole-5-carboxaldehyde,2-propyl-(9CI)
C11H12N2O (188.09495819999998)
1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone
C11H12N2O (188.09495819999998)
1-Methyl-3-(4-methylphenyl)-1H-pyrazol-5-ol
C11H12N2O (188.09495819999998)
7-AMINO-4,6-DIMETHYL-QUINOLIN-2-OL
C11H12N2O (188.09495819999998)
4-(2-METHOXYPHENYL)-3-METHYL-1H-PYRAZOLE
C11H12N2O (188.09495819999998)
N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
C11H12N2O (188.09495819999998)
5-[(Methylamino)methyl]-3-phenylisoxazole
C11H12N2O (188.09495819999998)
(3-(CYCLOPENT-1-EN-1-YL)PHENYL)BORONIC ACID
C11H13BO2 (188.10085480000004)
[3-(1-methylpyrazol-3-yl)phenyl]methanol
C11H12N2O (188.09495819999998)
1H-Benzimidazole-4,7-dione,2-ethenyl-1-methyl-(9CI)
4-amidino-N-nitroso-1-tetrazene-1-carboximidohydrazide
2-(4-(ACETYLAMINO)PHENYL)PROPIONITRILE
C11H12N2O (188.09495819999998)
Pyrimido[2,1-a]isoindol-6(2H)-one,1,3,4,10b-tetrahydro-
C11H12N2O (188.09495819999998)
(1-METHYL-5-PHENYL-1H-PYRAZOL-3-YL)METHANOL
C11H12N2O (188.09495819999998)
(4-methyl-2-phenyl-1,3-oxazol-5-ylmethyl)amine
C11H12N2O (188.09495819999998)
(2E)-N-(5-CHLORO-2-METHOXYPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
formaldehyde, 2-furylmethanol, ure
C7H12N2O4 (188.07970319999998)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-ethenyl-
2-Butanone,4-(1H-benzimidazol-2-yl)-(9CI)
C11H12N2O (188.09495819999998)
N-(4-Cyanophenyl)-2-methylpropanamide
C11H12N2O (188.09495819999998)
[4-(1-Methyl-1H-pyrazol-5-yl)phenyl]methanol
C11H12N2O (188.09495819999998)
4-Methyl-2-Phenyl-1H-Imidazole-5-Methanol
C11H12N2O (188.09495819999998)
[4-(1H-PYRAZOL-1-YLMETHYL)PHENYL]METHANOL
C11H12N2O (188.09495819999998)
3-(3,5-dimethyl-2-hydroxyphenyl)pyrazole
C11H12N2O (188.09495819999998)
3,4-DIMETHYL-1-PHENYL-1H-PYRAZOL-5(4H)-ONE
C11H12N2O (188.09495819999998)
4-AMINO-7-METHOXY-2-METHYLQUINOLINE
C11H12N2O (188.09495819999998)
4-AMINO-8-METHOXY-2-METHYLQUINOLINE
C11H12N2O (188.09495819999998)
1H-Benzimidazole,1-acetyl-2-ethyl-(9CI)
C11H12N2O (188.09495819999998)
(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL
C11H12N2O (188.09495819999998)
4-AMINO-6-METHOXY-2-METHYLQUINOLINE
C11H12N2O (188.09495819999998)
(1-BENZYL-1H-PYRAZOL-4-YL)METHANOL
C11H12N2O (188.09495819999998)
3-(3,5-Difluorophenoxy)-1-Propanol
C9H10F2O2 (188.06488240000002)
BenzeneMethanol, 2-Methyl-4-(1H-pyrazol-1-yl)-
C11H12N2O (188.09495819999998)
Poly(oxy-1,2-ethanediyl), .alpha.-2-naphthalenyl-.omega.-hydroxy-
C-(5-m-Tolyl-isoxazol-3-yl)-methylamine
C11H12N2O (188.09495819999998)
2-Phenyl-2,6-diazaspiro[3.3]heptan-1-one
C11H12N2O (188.09495819999998)
2-(2-METHYLIMIDAZOL-1-YL)PHENYL]METHANOL
C11H12N2O (188.09495819999998)
(2-HYDROXYETHYL)TRIPHENYLPHOSPHONIUMCHLORIDE
C11H12N2O (188.09495819999998)
(Z)-TERT-BUTYL (2-NITROVINYL)CARBAMATE
C7H12N2O4 (188.07970319999998)
(1-METHYL-4-PHENYL-1H-IMIDAZOL-5-YL)METHANOL
C11H12N2O (188.09495819999998)
6-METHOXY-4-METHYL-QUINOLIN-8-YLAMINE
C11H12N2O (188.09495819999998)
2-cyano-N-(3,4-dimethylphenyl)acetamide
C11H12N2O (188.09495819999998)
METHYL 4-(5-METHYL-1H-PYRAZOL-3-YL)PHENYL ETHER
C11H12N2O (188.09495819999998)
6-methyl-2-phenyl-4,5-dihydropyridazin-3-one
C11H12N2O (188.09495819999998)
2-(aminomethyl)-3,5-dimethyl-4(1H)-pyridinone(SALTDATA: 2HCl 1H2O)
3-AMINO-3-(4-METHOXYPHENYL)-2-METHYLACRYLONITRILE
C11H12N2O (188.09495819999998)
4-((2-cyanoethyl)methylamino)benzaldehyde
C11H12N2O (188.09495819999998)
Phenol, 4-ethoxy-2,3-difluoro-6-methyl
C9H10F2O2 (188.06488240000002)
c-(2-p-tolyl-oxazol-4-yl)-methylamine
C11H12N2O (188.09495819999998)
1H-Benzimidazole,2-ethenyl-5-methoxy-1-methyl-(9CI)
C11H12N2O (188.09495819999998)
1H-Benzimidazole,2-(2-methoxyethenyl)-1-methyl-(9CI)
C11H12N2O (188.09495819999998)
N,N-DIMETHYL-1,4-BUTANEDIAMINE DIHYDROCHLORIDE
C6H18Cl2N2 (188.08469680000002)
N-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine
C11H12N2O (188.09495819999998)
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-6-methyl-
C11H12N2O (188.09495819999998)
6-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
C11H12N2O (188.09495819999998)
(Z)-Butylidenephthalide
(z)-3-butylidene-1(3h)-isobenzofuranone, also known as (Z)-3-butylidenephthalide, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (z)-3-butylidene-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-butylidene-1(3h)-isobenzofuranone can be found in herbs and spices and lovage, which makes (z)-3-butylidene-1(3h)-isobenzofuranone a potential biomarker for the consumption of these food products. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
3-(1H-indol-3-yl)Propanoate
C11H10NO2- (188.07115000000002)
A monocarboxylic acid anion that is the conjugate base of 3-(1H-indol-3-yl)propanoic acid.
(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carboxylate
C7H12N2O4 (188.07970319999998)
(2S)-2-azaniumyl-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoate
C7H12N2O4 (188.07970319999998)
H-Gly-Hyp-OH
C7H12N2O4 (188.07970319999998)
1-(2-Aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
C7H12N2O4 (188.07970319999998)
4,6-dimethyl-2-oxo-5-prop-2-enyl-1H-pyridine-3-carbonitrile
C11H12N2O (188.09495819999998)
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl glycolate
Methyl {[(acetylamino)acetyl]amino}acetate
C7H12N2O4 (188.07970319999998)
10-Amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Ligusticum lactone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
2,6-diaminopimelate(2-)
C7H12N2O4 (188.07970319999998)
A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid.
N(2)-acetyl-D-glutamine
C7H12N2O4 (188.07970319999998)
An N(2)-acetylglutamine that has D-configuration.
2-oxosuberic acid
An oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2.
N(2)-acetylglutamine
C7H12N2O4 (188.07970319999998)
A glutamine derivative with an acetyl group bound at the alpha-amino group.
6-Hydroxytetrahydro-beta-carboline
C11H12N2O (188.09495819999998)
A natural product found in Paramuricea clavata.
N-Acetyl-L-glutamine
C7H12N2O4 (188.07970319999998)
An N(2)-acetylglutamine that has L-configuration.
Meso-2,6-diaminopimelate(2-)
C7H12N2O4 (188.07970319999998)
The meso-isomer of 2,6-diaminopimelate.
2-hydroxy-3-methoxy-5-methyl-5,6-dihydro-2h-pyran-4-carboxylic acid
1h,2h,3h,4h,9h-pyrido[3,4-b]indol-5-ol
C11H12N2O (188.09495819999998)
4-(hydroxymethyl)-2-(3-methylbut-3-en-1-yn-1-yl)phenol
(2r,5s)-2-hydroxy-3-methoxy-5-methyl-5,6-dihydro-2h-pyran-4-carboxylic acid
4-(c-hydroxycarbonimidoyl)-2-[(1-hydroxyethylidene)amino]butanoic acid
C7H12N2O4 (188.07970319999998)
2-methylene-3-buten-1-yl benzoate
{"Ingredient_id": "HBIN006047","Ingredient_name": "2-methylene-3-buten-1-yl benzoate","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "NA","Ingredient_weight": "188.22","OB_score": "NA","CAS_id": "150967-24-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8560","PubChem_id": "NA","DrugBank_id": "NA"}
3-butylidene-phalide
{"Ingredient_id": "HBIN008361","Ingredient_name": "3-butylidene-phalide","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "CCCC=C1C2=CC=CC=C2C(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14535","TCMID_id": "2797","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-methylenedioxy-n-methylisoquinoline
C11H10NO2+ (188.07115000000002)
{"Ingredient_id": "HBIN012097","Ingredient_name": "6,7-methylenedioxy-n-methylisoquinoline","Alias": "NA","Ingredient_formula": "C11H10NO2+","Ingredient_Smile": "C[N+]1=CC2=CC3=C(C=C2C=C1)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e)-n-(4-aminobutyl)-3-(methylsulfanyl)prop-2-enimidic acid
(4s,5s,6r)-5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one
(2s,5s)-5-(aminomethyl)-5,6-dihydroxy-3,4-dihydro-2h-pyridine-2-carboxylic acid
C7H12N2O4 (188.07970319999998)
(9r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ol
C11H12N2O (188.09495819999998)
5-hydroxy-5-(2-hydroxy-1-methoxyethyl)-4-methylfuran-2-one
(2s)-2-amino-3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)propanoic acid
C7H12N2O4 (188.07970319999998)
(2s)-3,6-dihydro-2h-[2,3'-bipyridine]-1-carbaldehyde
C11H12N2O (188.09495819999998)
(2s,3r)-2-[(1s)-1-hydroxyethyl]-5-oxooxolan-3-yl acetate
methyl (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
C7H12N2O4 (188.07970319999998)
1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ol
C11H12N2O (188.09495819999998)
7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,11-trien-6-one
C11H12N2O (188.09495819999998)