Exact Mass: 252.1123
Exact Mass Matches: 252.1123
Found 500 metabolites which its exact mass value is equals to given mass value 252.1123,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cimetidine
A histamine congener, it competitively inhibits histamine binding to histamine H2 receptors. Cimetidine has a range of pharmacological actions. It inhibits gastric acid secretion, as well as pepsin and gastrins output. It also blocks the activity of cytochrome P-450 which might explain proposals for use in neoadjuvant therapy. [PubChem] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3722 KEIO_ID C208; [MS2] KO008913 KEIO_ID C208 Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
cis-Hinokiresinol
cis-Hinokiresinol, a type of lignan, is a natural compound found in various plants, particularly conifers like cypress. Lignans, including cis-Hinokiresinol, have garnered significant interest in the field of pharmacology and nutrition due to their diverse biological functions: 1. **Antioxidant Activity**: cis-Hinokiresinol exhibits antioxidant properties, which means it can help neutralize harmful free radicals in the body. This activity is important for protecting cells from oxidative stress, which is associated with aging and various diseases. 2. **Anti-Inflammatory Effects**: The compound has been found to possess anti-inflammatory properties. Chronic inflammation is linked to numerous diseases, including heart disease, cancer, and autoimmune disorders. By reducing inflammation, cis-Hinokiresinol may contribute to the prevention or treatment of these conditions. 3. **Anticancer Potential**: Some studies suggest that lignans, including cis-Hinokiresinol, may have anti-cancer properties. They may influence cancer cell growth, apoptosis (cell death), and angiogenesis (formation of new blood vessels in tumors). However, more research is needed to fully understand these effects. 4. **Estrogenic and Anti-Estrogenic Activities**: cis-Hinokiresinol and other lignans can bind to estrogen receptors in the body, exhibiting both estrogenic and anti-estrogenic effects. This dual activity might be beneficial in conditions where estrogen balance is crucial, such as in hormone-related cancers. 5. **Prebiotic Effects**: In the gut, lignans can be metabolized by gut bacteria into compounds with estrogenic or anti-estrogenic properties. This transformation contributes to the overall hormonal balance in the body and may have implications for health.
Anatoxin a(s)
Methyl 3,4,5-trimethoxycinnamate
Methyl-3,4,5-trimethoxy cinnamate is an alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol. It is a member of methoxybenzenes and an alkyl cinnamate. Methyl 3,4,5-trimethoxycinnamate is a natural product found in Hedysarum polybotrys, Piper arborescens, and other organisms with data available. Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices. Methyl 3,4,5-trimethoxycinnamate is isolated from Piper longum (long pepper) and other plant species. Isolated from Piper longum (long pepper) and other plant subspecies Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices.
Alanyltyrosine
Alanyltyrosine is a dipeptide composed of alanine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Alanine
Tyrosyl-Alanine is a dipeptide composed of tyrosine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
2-Phenylethyl 3-phenyl-2-propenoate
2-Phenylethyl 3-phenyl-2-propenoate is a food flavour. It is isolated from the buds of Populus balsamifera (balsam poplar Food flavour. Isolated from the buds of Populus balsamifera (balsam poplar)
2,3-Butanediol glucoside
2,3-Butanediol glucoside is found in herbs and spices. 2,3-Butanediol glucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol glucoside is found in herbs and spices.
1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione
1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is found in herbs and spices. 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is a constituent of Eugenia caryophyllata (clove) oil
3'-Hydroxyhexobarbital
3-Hydroxyhexobarbital is only found in individuals that have used or taken Hexobarbital. 3-Hydroxyhexobarbital is a metabolite of Hexobarbital. 3-hydroxyhexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
Phenylalanylserine
Phenylalanylserine is a dipeptide composed of phenylalanine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. L-Phenylalanyl-L-serine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16053-39-7 (retrieved 2024-07-15) (CAS RN: 16053-39-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Prolyl-Histidine
Prolyl-Histidine is a dipeptide composed of proline and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylphenylalanine
Serylphenylalanine is a dipeptide composed of serine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Epoxy-hexobarbital
Epoxy-hexobarbital is only found in individuals that have used or taken Hexobarbital. Epoxy-hexobarbital is a metabolite of Hexobarbital. Epoxy-hexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
Histidylproline
Histidylproline is a dipeptide composed of histidine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is a constituent of Alpinia galanga (greater galangal) rhizomes. Constituent of Alpinia galanga (greater galangal) rhizomes. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices.
Cinnamyl phenylacetate
Cinnamyl phenylacetate is a flavouring ingredient. Flavouring ingredient
4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile
Uracil analogue
1-Methyl-2-benzyl-1,2,3,4-tetrahydroquinazoline-4-one
Effusol
Effusol is a natural product found in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1]. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1].
6-Amino-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
2-Methyl-5-methoxy-7-hydroxy-8-(2-hydroxyethyl)-2,3-dihydro-4H-1-benzopyran-4-one
N5-(4-Hydroxybenzyl)-glutamin|N5-(4-hydroxybenzyl)glutamine
3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid ethyl ester
2-(1,2-dihydroxyisopropyl)-5,6-dimethoxybenzofuran|2-(5,6-dimethoxy-benzofuran-2-yl)-propane-1,2-diol
1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde|emehetin
4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzaldehyde
2-<2-Hydroxy-1,1-bis(hydroxymethyl)ethyl>-5,5-bis(hydroxymethyl)-1,3-dioxan
(pyrimidin-2,5-diyl)-bis-propionic acid dimethyl ester
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone
A member of the class of tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, two hydroxymethyl groups at positions 2 and 4 and a methoxy group at position 6. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors
((3S)-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine-3r,7t-diyl)-bis-methanol|(3S)-3r,7t-bis-hydroxymethyl-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine|(S,S)-isopalythazine|Isopalythazin|isopalythazine
L-N-<2-(3-pyridyl)ethyl>-glutamic acid|L-N-[2-(3-pyridyl)ethyl]-glutamic acid|N-<2-(3-pyridyl)ethyl>-L-glutamic acid
2,3-Dihydro-12,13-dihydroxyeuparin
(+)-(7S,8R,8R)-4,8-dihydroxy-3-methoxy-1,2,3,4,5,6-hexanorligna-7,7-lactone
3-ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-3H-isobenzofuran-1-one|dihydrogladiolic acid ethyl lactal
5-hydroxy-6-(2-hydroxyethyl)-7-methoxy-2-methylchroman-4-one
(3R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one|(R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
(3S*,4S*)-7-ethyl-3,4-dihydro-3,4,8-trihydroxy-6-methoxynaphthalen-1(2H)-one|(3S,4S)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone|botryosphaerone D
2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate
6-(2,4-dihydroxy-5-methylphenyl)-6-oxohexanoic acid
2,4-dihydroxy-3(2,3-epoxy-3-methylbutyl)-6-methoxybenzaldehyde
2,5-Diamino-4-hydroxypentanoic acid-N5-Benzoyl|Ndelta-benzoyl-L-gamma-hydroxyornithine
8-carboxyl-3-hydroxy-5-methoxy-2-dimethyl chroman|8-carboxyl-3-hydroxy-5-methoxy-2-dimethylchroman
2,3-O-Benzylidene-beta-D-Pyranose-1,6-Anhydromannose
(+)-<2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)>-6-methoxybenzaldehyde|(+)-[2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)]-6-methoxybenzaldehyde
Trinexapac-ethyl
CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4433; ORIGINAL_PRECURSOR_SCAN_NO 4431 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4076 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4445 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; EAWAG_UCHEM_ID 151
methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol
(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
Cimetidine
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
Ala-tyr
A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.
His-pro
A dipeptide formed from L-histidine and L-proline residues.
Phe-ser
A dipeptide that is the N-(L-phenylalanyl) derivative of L-serine.
Ser-phe
A dipeptide that is the N-(L-seryl) derivative of L-phenylalanine.
Tyr-ala
A dipeptide formed from L-tyrosine and L-alanine residues.
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
Antibiotic LL-D253alpha
TERT-BUTYL (4-FORMYL-2-METHOXYPYRIDIN-3-YL)CARBAMATE
4-(Carboxy-hydroxy-methyl)-benzoic acid tert-butyl ester
2-[(4-ethylamino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methyl-p ropanenitrile
3-(Diethoxyphosphinyl)-2-methylpropanoic acid ethyl ester
Butanoic acid,2-(diethoxyphosphinyl)-, ethyl ester
1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
N-PYRROLIDIN-3-AMINO-3-(2-CHLOROPHENYL)PROPIONAMIDE
4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
4-((tert-butoxycarbonylamino)methyl)picolinic acid
1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98
2-(3-Chlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-((tert-Butoxycarbonyl)amino)-2-(pyridin-2-yl)acetic acid
1,4-Benzenedicarboxamide,N1,N4-bis(2-hydroxyethyl)-
(S)-BENZYL (3-HYDROXY-1-(METHYLAMINO)-1-OXOPROPAN-2-YL)CARBAMATE
(2S,4R)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(2S,4S)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(METHYLAMINO)PROPANOIC ACID
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-phenyl-
TERT-BUTYL 4-FORMYL-5-METHOXYPYRIDIN-3-YLCARBAMATE
6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)NICOTINIC ACID
tert-Butyl ((3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate hydrochloride
(E)-3-[2-[(2-methylphenyl)methoxy]phenyl]prop-2-enal
3-(4-methoxyphenyl)-3,4-dihydronaphthalen-1(2H)-one
4-(3-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
4-(2-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
2-(6-((tert-Butoxycarbonyl)amino)pyridin-2-yl)acetic acid
1H-SPIRO[PIPERIDINE-4,3-QUINOLIN]-2(4H)-ONE HYDROCHLORIDE
2,2,3,3-Tetrahydro-1,1-spirobi[1H-indene]-7,7-diol
3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester
2-(4-(CHLOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methanol
1-(6-Methyl-2-pyridinyl)-2-[1,2,4]triazolo[1,5-a]pyridine-6-yl-ethanone
1,4-Benzenedicarboxylicacid, 2,5-diamino-, 1,4-diethyl ester
N-[4-(Ethoxycarbonylamino)Phenyl]Carbamic Acid Ethyl Ester
N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
3-(2,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester
diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
4-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
4-amino-3-((tert-butoxycarbonyl)amino)benzoic acid
(1S,4S)-(+)-2-(3,4-DICHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
2-(methylthio)pyrimidine-5-boronic acid pinacol ester
Efaroxan hydrochloride
Efaroxan hydrochloride is a potent, selective and orally active α2-adrenoceptor antagonist, with antidiabetic activity. Efaroxan hydrochloride is a selective I1-Imidazoline receptor antagonist. Efaroxan hydrochloride can be used for the research of cardiovascular disease[1][2][3].
CIRAZOLINE HYDROCHLORIDE
Cirazoline hydrochloride (LD 3098 hydrochloride) is a potent competitive full?α1A-adrenergic receptor (α1A-AR) agonist (Ki=120 nM) and only a partial agonist at α1B-AR (Ki= 960 nM) and α1D-AR (Ki=660 nM)[1].
5-Chloro-2-Methylphenylboronic acid, pinacol ester
Poly(divinylbenzene-co-trimethyl(vinylbenzyl)ammonium chloride)
It is used as a food additive .
2-(4-CHLOROBENZYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
(R)-2,2,3,3-TETRAHYDRO-1,1-SPIROBI[INDENE]-7,7-DIOL, >=95
1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl)ethanone
diethyl 4-hydroxy-5-methyl-benzene-1,3-dicarboxylate
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}benzenolate
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
Purpurester A
A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum.
Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester
4-(Acetylamino)-3-[(aminoacetyl)amino]benzoic acid
1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene
A norlignan that is pentane-1,4-diene in which a hydrogen at position 1 and a hydrogen at position 3 are replaced by p-hydroxyphenyl groups. The isomer in which the 1,2-disubstituted double bond has Z configuration is known as nyasol; the corresponding E isomer is hinokiresinol.
(-)-Hinokiresinol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1E,3S configuration. A natural product found in Chamaecyparis obtusa.
(2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-3-hydroxypropanoate
[(1S)-1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethyl]-methoxyphosphinic acid
1-[4,5-Bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione
(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
A natural product found in Leptosphaeria species.
N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
6-(cyclohexylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
1-cyano-2-methyl-3-[2-[(5-methyl-4H-imidazol-4-yl)methylthio]ethyl]guanidine
(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate
2-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-hydroxyacetic acid
2-[2,4,6-Trihydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid
4-Methoxyphenylpropionic acid trimethylsilyl ester
2-Methoxyphenylpropionic acid, trimethylsilyl ester
Dimethyl trans-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl cis-4-acryloyl-4-cyclohexene-1,2-dicarboxylate
Dimethyl cis-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl trans-4-acryloyl-4-cyclohexene-1,2-dicarboxylate
4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde
(-)-Nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3R configuration. A natural product found in Anemarrhena asphodeloides.
FK17-P2a
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a methyl group at position e and by a at positions 3 and 4-hydroxy-2-oxopentyl group at position 6. A fungal metabolite isolated from Pseudobotrytis and Aspergillus niger (stereochemistry not been determined).
(+)-nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3S configuration. A natural product found in Asparagus africanus and Asparagus cochinchinensis.
His-Pro zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Pro. Major species at pH 7.3.
3-ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one
4-[(1z,4z)-5-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenol
1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-ene-3,10-dione
(3r,4r,5s)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one
3-hydroxy-4-methoxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one
[13-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol
(3s,4r)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one
(3s)-3-ethyl-5,6,7-trimethoxy-3h-2-benzofuran-1-one
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one
(4s,6s)-6-[(1s,2s)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one
[12-(hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol
(3r)-8-hydroxy-3-(3-hydroxypropyl)-7-methoxy-3,4-dihydro-2-benzopyran-1-one
6,8-dihydroxy-3-methoxy-3,5,7-trimethyl-4h-2-benzopyran-1-one
3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4h-2-benzopyran-1-one
4-[(3r)-3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenol
1-o-coumaroylglycerol; (s,e)-form,4'-me ether
{"Ingredient_id": "HBIN002873","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form,4'-me ether","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "220852-57-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9135","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-coumaroylglycerol; (e)-form,4'-me ether
{"Ingredient_id": "HBIN006216","Ingredient_name": "2-o-coumaroylglycerol; (e)-form,4'-me ether","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "220852-58-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8540","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal
{"Ingredient_id": "HBIN010432","Ingredient_name": "4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzeneacetic
{"Ingredient_id": "HBIN017754","Ingredient_name": "benzeneacetic","Alias": "NA","Ingredient_formula": "C17H16O2","Ingredient_Smile": "C1=CC=C(C=C1)CC(=O)OCC=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39885","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
