Exact Mass: 258.1190628
Exact Mass Matches: 258.1190628
Found 500 metabolites which its exact mass value is equals to given mass value 258.1190628,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AICA-riboside
AICA-riboside, also known as acadesine or AICAR, is an AMP-activated protein kinase activator which is used for the treatment of acute lymphoblastic leukemia and may have applications in treating other disorders such as diabetes. AICA-riboside is an adenosine regulating agent developed by PeriCor Therapeutics and licensed to Schering-Plough in 2007 for phase III studies. The drug is a potential first-in-class agent for prevention of reperfusion injury in CABG surgery. Schering began patient enrollment in phase III studies in May, 2009. The trial was terminated in late 2010 based on an interim futility analysis (Wikipedia). AICA-riboside is a minor constituent found in human milk (PMID: 7702711). C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy D007004 - Hypoglycemic Agents
Glycerophosphorylcholine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G069; [MS2] KO009112 KEIO_ID G069
3-O-Methylbatatasin III
3-O-methylbatatasin III is a stilbenoid. 3-O-Methylbatatasin III is a natural product found in Coelogyne ovalis, Pleione bulbocodioides, and other organisms with data available. 3'-O-Methylbatatasin III shows spasmolytic activity[1]. 3'-O-Methylbatatasin III shows spasmolytic activity[1].
cyclo(dehydrophenylalanyl-L-leucyl)
Carbapenem biosynthesis intermediate 5
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound. Carbapenem biosynthesis intermediate 5 is a natural product found in Streptomyces cattleya, Apis cerana, and Euglena gracilis with data available.
gamma-L-Glutamyl-L-pipecolic acid
gamma-L-Glutamyl-L-pipecolic acid is found in green vegetables. gamma-L-Glutamyl-L-pipecolic acid is isolated from the seeds of Gleditisia caspica (Caspian locust). Isolated from the seeds of Gleditisia caspica (Caspian locust). gamma-L-Glutamyl-L-pipecolic acid is found in green vegetables.
Strobilurin A
Strobilurin A is found in mushrooms. Strobilurin A is produced by Oudemansiella mucida, (porcelain fungus) and many other fung D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(2S,2'S)-Pyrosaccharopine
(2S,2S)-Pyrosaccharopine is found in cereals and cereal products. (2S,2S)-Pyrosaccharopine is isolated from edible dried shiitake mushroom (Lentinus edodes) and buckwheat seeds (Fagopyrum esculentum). Isolated from edible dried shiitake mushroom (Lentinus edodes) and buckwheat seeds (Fagopyrum esculentum). (2S,2S)-Pyrosaccharopine is found in mushrooms and cereals and cereal products.
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
2-Naphthylaminomethyl-gamma-aminobutyric acid
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
5-Amino-1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Biotin hydrazide
C10H18N4O2S (258.11504080000003)
L-enantiomer
Ribosyl-5-amino-4-imidazolcarboxamid
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
C14H14N2O3 (258.10043740000003)
1-Acetyl-3-carboxy-tetrahydro-beta-carboline
C14H14N2O3 (258.10043740000003)
3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
(+)-3-acetoxy-tetradeca-4t,6t,12t-triene-8,10-diyn-1-ol|3-Acetoxy-tetradecatrien-(4,6,12)-diin-(8,10)-ol-(1) (3R?)-3-Acetoxy-tetradeca-4t,6t,12t-trien-8,10-diin-1-ol
(2E,5E)-2-methyl-6-(7-oxo-3-methylocta-2,5-dienyl)-1,4-benzoquinone
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
C14H14N2O3 (258.10043740000003)
3-(3,3-dimethyl-2-propenyl)-4-methoxy-5-phenyl-2(5H)-furanone
1-acetoxy-3-(trans-3-nona-1t,7t-diene-3,5-diynyl-oxiranyl)-propane|1-Acetoxy-4,5-epoxy-tetradeca-8,10-diin-6,12-dien
(4S,6S)-4-hydroxy-3-methoxy-6-(1-phenyl-2-propenyl)-2-cyclohexene-1-one
gamma-L-glutamyl-L(+)-2-amino-3-methylenepentenoic acid
Tensyuic acid B
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
dimethyl 2-(6-hydroxyhexyl)-3-methylenesuccinic acid
1-[(2-Methylene-3-oxo-4,5-dimethyl-4-cyclopentene)-1-ylmethyl]-3,4-dimethyl-3-cyclopentene-2,5-dione
(5-Amino-imidazol-4-carbonsaeureamid)-ribofuranosid|5-amino-1(3)H-imidazole-4-carboxylic acid beta-D-ribofuranosylamide
(4S)-4,10,11-trihydroxy-10-methyldodec-2-en-1,4-olide
4-hydroxy-3-methoxy-4-(3-phenyl-2-propenyl)-2-cyclohexene-1-one
2-Acetyl-5-(3-methyl-2-butenyl)-6-methoxybenzofuran
4-hydroxy-3,5,5-trimethyl-4-(1,2,3-trihydroxybutyl)cyclohex-2-enone|angelicol A
(+-)-1-Acetoxy-tetradeca-4,6,12-trien-8,10-diin-3-ol
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
Ac-(E,E)-form-9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol
trans-7,9-dihydroxy-3-methyl-8-oxo-dodecan-4-olide
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
3-Methoxy-7-hydroxy-cadalenal|3-Methoxy-7-hydroxycadalenal|3-Methoxy-7-hydroxycadenal
erythro-1-(2-methoxyphenyl)-3-phenylpropane-1,2-diol|threo-1-(2-methoxyphenyl)-3-phenylpropane-1,2-diol
dimethyl 2-(5-hydroxyhexyl)-3-methylenesuccinic acid
O8-Me-8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide
44SF3SS9W7
2-[3-(4-Hydroxyphenyl)propyl]-5-methoxyphenol is a natural product found in Broussonetia papyrifera and Anemarrhena asphodeloides with data available.
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846302]
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based: Match]
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE
Acadesine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy
Mucidin
An enoate ester that is the methyl ester of (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Diacetyl trimer
1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid
Shi epoxidation catalyst, L-enantiomer
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
C14H14N2O3 (258.10043740000003)
6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID
N-3-Anilinoprop-2-enylidene]-N-phenylamine hydrochloride
Magnesium acetylacetonate dihydrate
C10H18MgO6 (258.09538280000004)
1-[4-(4-MORPHOLINYL)PHENYL]-1H-PYRROLE-2,5-DIONE
C14H14N2O3 (258.10043740000003)
ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
C14H14N2O3 (258.10043740000003)
tert-butyl 6-cyano-3,4-dihydroisoquinoline-2(1H)-carboxylate
1-N-CBZ-2-Methylpropane-1,2-diamine-HCl
C12H19ClN2O2 (258.11349839999997)
2-N-Cbz-2-Methylpropane-1,2-diamine hydrochloride
C12H19ClN2O2 (258.11349839999997)
METHYL 1-CYCLOHEXYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
Methyl 1-cyclohexyl-1H-benzo[d]imidazole-6-carboxylate
2-[(4-methylpiperazin-1-yl)methyl]-1H-quinazolin-4-one
3-AMINO-3-(4-DIMETHYLAMINO-NAPHTHALEN-1-YL)-PROPIONIC ACID
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
C14H14N2O3 (258.10043740000003)
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
Benzyl n-(4-aminobutyl)carbamate hydrochloride
C12H19ClN2O2 (258.11349839999997)
3-Pyridazinecarboxamide, 6-[[(4-methoxyphenyl)methyl]amino]-
2-Benzyl-5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
3-[(ETHOXYCARBONYL)OXYCARBONYL]-2,5-DIHYDRO-2,2,5,5-TETRAMETHYL-1H-PYRROL-1-YLOXY
Benzyl (4-methoxypyridin-2-yl)carbamate
C14H14N2O3 (258.10043740000003)
5-[(4-Fluorobenzyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione,2,2-dimethylpropane-1,3-diol
1-(methoxymethyl)-4-[4-(methoxymethyl)phenoxy]benzene
Aspartic acid beta-naphthylamide
C14H14N2O3 (258.10043740000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
C14H14N2O3 (258.10043740000003)
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
C14H14N2O3 (258.10043740000003)
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde
C15H19BO3 (258.14271740000004)
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
formaldehyde,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
4-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
C14H14N2O3 (258.10043740000003)
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
C14H14N2O3 (258.10043740000003)
3-formyll-trans-beta-styrylboronic acid pinacol ester
C15H19BO3 (258.14271740000004)
4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
7-BENZYL-1,4-DIOXA-7-AZASPIRO[4.5]DECANE-8-CARBONITRILE
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
Pentalene, 1,3a,4,6a-tetrahydro-3,6-diphenyl-, (3aR,6aR)
ethyl 4-(6-methylpyridazin-3-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
(1S,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
(3AS,4R,6R,7AS)-TETRAHYDRO-4-HYDROXYMETHYL-6-METHOXY-4H-FURO[3,2-C]PYRAN-2(3H)-ONE
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
C12H19ClN2O2 (258.11349839999997)
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
C14H14N2O3 (258.10043740000003)
(S)-2-(3-((TERT-BUTOXYCARBONYL)AMINO)-2-OXOPYRROLIDIN-1-YL)ACETIC ACID
Pelubiprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
C12H19ClN2O2 (258.11349839999997)
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
2-(1-(TERT-BUTOXYCARBONYL)-3-OXOPIPERAZIN-2-YL)ACETIC ACID
N-[(1S)-4-Cyano-2,3-dihydro-1H-inden-1-yl]carbamic acid 1,1-dimethylethyl ester
tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate
(1R,4R)-N-(3-Fluoro-benzyl)-cyclohexane-1,4-diaMine hydrochloride
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
(S)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
[1-(6-Methoxy-pyriMidin-4-yl)-piperidin-4-yl]-Methyl-aMine hydrochloride
(1R,4R)-N-(2-Fluoro-benzyl)-cyclohexane-1,4-diaMine hydrochloride
(1r,4r)-N1-(4-fluorobenzyl)cyclohexane-1,4-diamine hydrochloride
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,3-DIHYDROINDEN-1-ONE
C15H19BO3 (258.14271740000004)
3-(1-BENZYL-3,5-DIMETHYL-1 H-PYRAZOL-4-YL)-PROPIONIC ACID
(3aS,6aS)-3,6-diphenyl-1,3a,4,6a-tetrahydropentalene
1-(3,4-Dimethoxyphenyl)piperazine hydrochloride
C12H19ClN2O2 (258.11349839999997)
Propoxate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
1-Cbz-Amino-3-methylaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
1-N-Cbz-1-N-Methyl-1,3-diaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
1-Methoxy-4-[(4-methoxyphenyl)methoxymethyl]benzene
Cyclopenta(c)pyrido(3,2-a)carbazole, 1,2,3,8-tetrahydro-
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
C16H15FO2 (258.10560219999996)
56684-87-8
3'-O-Methylbatatasin III shows spasmolytic activity[1]. 3'-O-Methylbatatasin III shows spasmolytic activity[1].
1,2,3,4,7,8,9,10-Octahydro[1]benzothieno[2,3-b]quinolin-11-amine
(3Z)-3-benzylidene-6-(2-methylpropyl)piperazine-2,5-dione
(5R)-6-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-5-hydroxyhexanoic acid
4-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
2-[4-[(Z)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
N-{(E)-amino[(5-methyl-1,3-benzoxazol-2-yl)amino]methylidene}cyclopropanecarboxamide
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
C14H14N2O3 (258.10043740000003)
Mimosifolenone
A cyclic ketone that is cyclohept-2-en-1-one substituted by a hydroxy group at position 5, a methoxy group at position 6 and a 2-phenylethenyl group at position 5 (the 5R,6R stereoisomers). Isolated from the rootwood of Aeschynomene mimosifolia, it exhibits cytotoxic towards human cancer cell lines.
Indolmycin(1+)
An organic cation obtained by protonation at position 3 in the oxazole ring of indolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(1,4,8,11-Tetraazacyclotetradecane)nickel(2+)
C10H24N4Ni+2 (258.13543339999995)
(4-Methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
3-[(2-methylpropyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
N-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
C14H14N2O3 (258.10043740000003)
1-[5-Amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
2-[1,3-Dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
C10H16N3O5+ (258.10899059999997)
2-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Methyl 2-(N-((4S)-4-(2-methylpropyl)-2-oxazolidinone-3-carbamoyl))aminoacetate
Methyl 2-(N-((4S)-4-(1,1-dimethylethyl)-2-oxazolidinone-3-carbamoyl))aminoacetate
2-(4-Methylphenyl)-4,4-dimethyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
Ethyl (4R*,5R*)-(E)-5-hydroxy-4-(2-tetrahydropyranyl)oxy-2-hexenoate
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
2-[(2s)-4-(4-methylpent-3-en-1-yl)-2,5-dihydrofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
methyl (3e,5e)-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
7,8-dihydroxy-4-methoxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
5-hydroxy-6-[1-(c-hydroxycarbonimidoyl)-2-iminoimidazolidin-4-yl]hexanoic acid
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
(13e)-1-amino-13-(2-hydroxyethylidene)-11-methyl-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol
7-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-3-ol
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(3r,4e,6e,12e)-3-hydroxytetradeca-4,6,12-trien-8,10-diyn-1-yl acetate
(3r)-7-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-3-ol
6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
1-(2-hydroxyethyl)-4-methoxy-beta-carboline
C14H14N2O3 (258.10043740000003)
{"Ingredient_id": "HBIN000880","Ingredient_name": "1-(2-hydroxyethyl)-4-methoxy-beta-carboline","Alias": "NA","Ingredient_formula": "C14H14N2O3","Ingredient_Smile": "NA","Ingredient_weight": "258.27","OB_score": "NA","CAS_id": "77369-99-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9699","PubChem_id": "NA","DrugBank_id": "NA"}
1-(3,5-dihydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2'-me ether
{"Ingredient_id": "HBIN001050","Ingredient_name": "1-(3,5-dihydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2'-me ether","Alias": "NA","Ingredient_formula": "C16H18O3","Ingredient_Smile": "NA","Ingredient_weight": "258.31","OB_score": "NA","CAS_id": "162411-68-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9690","PubChem_id": "NA","DrugBank_id": "NA"}
4-ethoxymethylphenyl-4'-hydroxybenzylether
{"Ingredient_id": "HBIN010380","Ingredient_name": "4-ethoxymethylphenyl-4'-hydroxybenzylether","Alias": "NA","Ingredient_formula": "C16H18O3","Ingredient_Smile": "CCOCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-hydroxyhuperzine a
{"Ingredient_id": "HBIN012276","Ingredient_name": "6\u03b2-hydroxyhuperzine a","Alias": "NA","Ingredient_formula": "C15H18N2O2","Ingredient_Smile": "CC=C1C2C=C(CC1(C3=C(C2O)NC(=O)C=C3)N)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,7s)-9-methoxy-3,5,7-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
(4s)-4-hydroxy-3,5,5-trimethyl-4-[(1s,2s,3s)-1,2,3-trihydroxybutyl]cyclohex-2-en-1-one
4-[(1r)-1-[(1s)-1-(4-hydroxyphenyl)ethoxy]ethyl]phenol
3-hydroxy-8-isopropyl-7-methoxy-5-methylnaphthalene-2-carbaldehyde
(4s)-4-hydroxy-4-[(2e)-3-(2-methoxyphenyl)prop-2-en-1-yl]cyclohex-2-en-1-one
methyl (1s,5s)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(6s)-6-[(1r,2s)-1,2-dihydroxyheptyl]-4-methoxy-5,6-dihydropyran-2-one
(3s,6z)-3-[(2s)-butan-2-yl]-6-(phenylmethylidene)-3h-pyrazine-2,5-diol
(3s,4e,6e,12e)-1-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl acetate
3a-methoxy-1,5,8-trimethyl-1h,9bh-naphtho[2,1-b]furan-2-one
(3s)-3-(6,6-dimethyl-2-oxo-5h-pyran-3-yl)-3h-2-benzofuran-1-one
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(6r)-6-hydroxy-3-[(r)-hydroxy(phenyl)methyl]-5,6-dihydro-4h-1-benzofuran-2-one
6-hydroxy-7-(3-methylbut-2-en-1-yl)-2-oxochromene-5-carbaldehyde
4-hydroxy-4-[3-(2-methoxyphenyl)prop-2-en-1-yl]cyclohex-2-en-1-one
6-methyl-12-(3-oxobutyl)-4,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-10-one
(1r,9r,13e)-1-amino-13-(2-hydroxyethylidene)-11-methyl-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}acetic acid
(1r,8s,15s)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3,11-triene-7,13-dione
2-{5-[(2s)-2,3-dihydroxy-3-methylbutyl]-1h-indol-3-yl}acetonitrile
3-hydroxytetradeca-4,6,12-trien-8,10-diyn-1-yl acetate
(2s)-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-6,7-diol
(2s,3r,4r,5r,6s)-2-[(2e,4e)-hepta-2,4-dien-1-yloxy]-6-methyloxane-3,4,5-triol
7-hydroxy-2,3,3-trimethyl-2h-naphtho[1,2-b]furan-4,5-dione
2-[5-(2,3-dihydroxy-3-methylbutyl)-1h-indol-3-yl]acetonitrile
(2r,4r,7s)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl acetate
3-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-2-enal
(2s)-1-[(5s)-5-amino-5-carboxypentyl]-5-oxopyrrolidine-2-carboxylic acid
2-{6-[(2s)-2,3-dihydroxy-3-methylbutyl]-1h-indol-3-yl}acetonitrile
(4r)-4-hydroperoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
(2s)-1-[(4s)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid
5-[2-(2-hydroxyphenyl)ethyl]-3-methoxy-2-methylphenol
2-methyl-6-[(2e,5e)-3-methyl-7-oxoocta-2,5-dien-1-yl]cyclohexa-2,5-diene-1,4-dione
5-(6-hydroxy-2-methylchromen-2-yl)-2-methylpent-2-enal
(1s,2r,3r)-2,8-dihydroxy-1,3-dimethyl-2,3,4,10-tetrahydro-1h-anthracen-9-one
1-[6-methoxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]ethanone
(3s,9ar)-3-benzyl-1-hydroxy-3h,6h,7h,8h,9h,9ah-pyrido[1,2-a]pyrazin-4-one
5-amino-1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboximidic acid
6-(1,2-dihydroxyheptyl)-4-methoxy-5,6-dihydropyran-2-one
(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-carbaldehyde
2-phenylethyl 3-(3-oxocyclopent-1-en-1-yl)propanoate
9-methoxy-3,5,7-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
(2e)-5-[(2s)-6-hydroxy-2-methylchromen-2-yl]-2-methylpent-2-enal
(1r,9s,10r,12s,14z)-1-amino-14-ethylidene-12-methyl-11-oxa-6-azatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-5-ol
5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
methyl (1s,5r)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
2-{6-[(2r)-2,3-dihydroxy-3-methylbutyl]-1h-indol-3-yl}acetonitrile
3-benzyl-1-hydroxy-3h,6h,7h,8h,9h,9ah-pyrido[1,2-a]pyrazin-4-one
4-hydroxy-3-methoxy-6-(1-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
1-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl acetate
2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-methylidenepentanoic acid
9-methoxy-3,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-carbaldehyde
(2s,3s)-1-(4-hydroxyphenyl)-4-phenylbutane-2,3-diol
7-methoxy-2-methyl-6-(3-methylbut-2-en-1-yl)chromen-4-one
methyl 2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
2-[4-(4-methylpent-3-en-1-yl)furan-2-yl]benzene-1,4-diol
(2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoic acid
n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
C14H14N2O3 (258.10043740000003)
(1r,3s)-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol
(4r,6s)-4-hydroxy-3-methoxy-6-[(1s)-1-phenylprop-2-en-1-yl]cyclohex-2-en-1-one
methyl 7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
1-methoxy-2-{[(2-methoxyphenyl)methoxy]methyl}benzene
methyl (1r,2s,3s,5s,8s)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
(2r,3r,4s,5s,6r)-2-[(2e,4z)-hepta-2,4-dien-1-yloxy]-6-methyloxane-3,4,5-triol
(4s,5e,7s,8s,10r)-7,8-dihydroxy-4-methoxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
(2e)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-yl acetate
1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(1r,8r,9r,13e)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraene-5,8-diol
(2e)-5-(6-hydroxy-2-methylchromen-2-yl)-2-methylpent-2-enal
(5r)-5-hydroxy-6-[(4r)-1-(c-hydroxycarbonimidoyl)-2-iminoimidazolidin-4-yl]hexanoic acid
4-hydroxy-3-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-one
(5s)-9-methoxy-3,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-carbaldehyde
(3e,5e)-6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
(7s,8r,9r)-9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
2-methyl-6-(3-methyl-7-oxoocta-2,5-dien-1-yl)cyclohexa-2,5-diene-1,4-dione
(1r,2r,3s,5r,6r,8r,10r)-5,6,8,10-tetramethyl-7,9,11-trioxatetracyclo[6.3.0.0²,⁶.0³,¹⁰]undecane-1,3,5-triol
4-hydroxy-3-methoxy-4-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
(e)-n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
C14H14N2O3 (258.10043740000003)
(4s)-4-hydroxy-3-methoxy-4-[(2e)-3-phenylprop-2-en-1-yl]cyclohex-2-en-1-one
3-(phenylmethylidene)-6-(sec-butyl)-6h-pyrazine-2,5-diol
2-{[(1s)-2,3-dimethyl-5-methylidene-4-oxocyclopent-2-en-1-yl]methyl}-4,5-dimethylcyclopent-4-ene-1,3-dione
3-(2,2-dimethylchromen-6-yl)prop-2-en-1-yl acetate
9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol
(5r)-5-[(2s)-2-[(2r,3s)-3-[(1s)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
2-[(2,3-dimethyl-5-methylidene-4-oxocyclopent-2-en-1-yl)methyl]-4,5-dimethylcyclopent-4-ene-1,3-dione
3-methoxy-2,3-dimethylpyrazino[1,2-a]indole-1,4-dione
C14H14N2O3 (258.10043740000003)
(1s,3ar,9br)-3a-methoxy-1,5,8-trimethyl-1h,9bh-naphtho[2,1-b]furan-2-one
(1r)-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)