Exact Mass: 258.106334
Exact Mass Matches: 258.106334
Found 500 metabolites which its exact mass value is equals to given mass value 258.106334,
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
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.
(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/]")
3'-Hydroxyequol
3-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
cis-4-Hydroxyequol
cis-4-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
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
3-(4-Hydroxyphenyl)-3,5,6,8-tetrahydro-2H-chromene-4,7-dione
Ribosyl-5-amino-4-imidazolcarboxamid
Braylin
Braylin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Braylin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Braylin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes braylin a potential biomarker for the consumption of these food products.
Isorhapontigenin
Isorhapontigenin is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Isorhapontigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isorhapontigenin can be found in garden rhubarb, which makes isorhapontigenin a potential biomarker for the consumption of this food product. Isorhapontigenin is a tetrahydroxylated stilbenoid with a methoxy group. It is an isomer of rhapontigenin and an analog of resveratrol. It is found in the Chinese herb Gnetum cleistostachyum, in Gnetum parvifolium and in the seeds of the palm Aiphanes aculeata . Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Prangone
Murrayone is a natural product found in Murraya exotica and Murraya paniculata with data available. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1]. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1].
Isorhapontigenin
Isorhapontigenin is a stilbenoid. Isorhapontigenin is a natural product found in Smilax corbularia, Aiphanes horrida, and other organisms with data available. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Rhapontigenin
Rhapontigenin is a stilbenoid. Rhapontigenin is a natural product found in Rheum undulatum, Gnetum hainanense, and other organisms with data available. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
C14H14N2O3 (258.10043740000003)
4-Hydroxy-3-(4-hydroxybenzyl)-5-methoxybenzaldehyde
1-Acetyl-3-carboxy-tetrahydro-beta-carboline
C14H14N2O3 (258.10043740000003)
Demethylvestitol
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene
3-Hydroxy-beta-lapachone
[Raw Data] CB127_3-Hydroxylapachone_pos_50eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_40eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_30eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_20eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_10eV_CB000045.txt
Ononetin
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is a stilbenoid. Ononetin, a natural deoxybenzoin, is a potent and selective TRPM3 channel blocker with an IC50 of 0.3 μM[1].
2-hydroxy-3-( 4-hydroxy-3-methyl-2-butenyl)-1,4-naphthoquinone
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
2-methoxy-3,4,3-trihydroxystilbene|3,3,4-trihydroxy-2-methoxy-trans-stilbene
6-(3,4-Dimethoxy-trans-styryl)-2-pyron|6-(3,4-Dimethoxystyryl-)2-pyron
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
C14H14N2O3 (258.10043740000003)
Ac-(Z)-7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol
4,8,9-Trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
gamma-L-glutamyl-L(+)-2-amino-3-methylenepentenoic acid
Di-Ac-2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol,9CI
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.
4-Oxo-5,6,9,10-tetradehydro-4,5-secofuranoeremophilan-5,1-carbolacton
Naphtho(1,2-b)furan-4,5-dione, 2,3-dihydro-6-hydroxy-2,3,3-trimethyl-
2-(2-Methoxyisopropyl)psoralen|2-(1-methoxy-1-methyl-ethyl)-furo[3,2-g]chromen-7-one|dehydromarmesin methyl ether
(3aS*,5S*,7aR*)-5-benzoyloxy-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one|miliusolide
2-Methoxy-6-(4-methoxy-trans-styryl)-pyran-4-on|2-methoxy-6-(4-methoxy-trans-styryl)-pyran-4-one|2-methoxy-6-<2-(4-methoxyphenyl)ethenyl>pyran-4-one
Braylin
Braylin is a natural product found in Geleznowia verrucosa, Pitavia punctata, and other organisms with data available.
2,5,7-trihydroxy-4-methoxy-9,10-dihydrophenanthrene|7-methoxy-9,10-dihydrophenanthrene-2,4,5-triol
(5-Amino-imidazol-4-carbonsaeureamid)-ribofuranosid|5-amino-1(3)H-imidazole-4-carboxylic acid beta-D-ribofuranosylamide
(+)-9-demethyleleutherin|(1R,3S)-9-hydroxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|3,4-dihydro-9-hydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione|8-desmethyleleutherin
5-methoxy-4,7,9S-trihydroxy-9,10-dihydrophenanthrene
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(2S)-2,3-dihydro-6-hydroxy-2,3,3-trimethylnaphto[2,3-b]furan-4,9-dione|(2S)-6-hydroxy-alpha-dunnione
2,5-Dimethyl-8,10-dihydroxy-2,3-dihydro-4H-naphtho[1,2-b]pyran-4-one
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
6-methoxy-8-(prop-1-en-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone A
Plicatol_C
Rotundatin is a natural product found in Dendrobium plicatile with data available.
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
Peucedanin
A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based: Match]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846301]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848039]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE
2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydroindeno[1,2-b]pyran-6-carboxylic acid
Acadesine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy
O-Demethylangolesin
O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Diacetyl trimer
Shi epoxidation catalyst, L-enantiomer
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
C14H14N2O3 (258.10043740000003)
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)
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
C14H14N2O3 (258.10043740000003)
Benzoic acid,2-hydroxy-4-(phenylmethoxy)-, methyl ester
1-N-CBZ-2-Methylpropane-1,2-diamine-HCl
C12H19ClN2O2 (258.11349839999997)
2-N-Cbz-2-Methylpropane-1,2-diamine hydrochloride
C12H19ClN2O2 (258.11349839999997)
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]-
1,4-Methanonaphthalene-5,8-diol,1,4-dihydro-, 5,8-diacetate
2-Benzyl-5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
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
Aspartic acid beta-naphthylamide
C14H14N2O3 (258.10043740000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
(2-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)(PHENYL)METHANONE
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)
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
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)
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-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
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
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
C12H19ClN2O2 (258.11349839999997)
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
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
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
C12H19ClN2O2 (258.11349839999997)
2,5-DIHYDRO-2-OXO-5-PHENYL-5-(2-PROPENYL)-3-FURANCARBOXYLIC ACID, METHYL ESTER
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
2-(1-(TERT-BUTOXYCARBONYL)-3-OXOPIPERAZIN-2-YL)ACETIC ACID
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
1-(3,4-Dimethoxyphenyl)piperazine hydrochloride
C12H19ClN2O2 (258.11349839999997)
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
Cyclopenta(c)pyrido(3,2-a)carbazole, 1,2,3,8-tetrahydro-
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
C16H15FO2 (258.10560219999996)
5-[(Z)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]resorcinol
84-99-1
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Wyerone
1,2,3,4,7,8,9,10-Octahydro[1]benzothieno[2,3-b]quinolin-11-amine
4-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
(3R)-7-hydroxy-alpha-dunnione
A natural product found in Streptocarpus dunnii.
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)
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)
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)
1-(2,5-Dihydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
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-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
O-Desmethylangolensin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
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.
(2r)-2,6,9-trihydroxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
4-[2-(3-hydroxyphenyl)ethenyl]-3-methoxybenzene-1,2-diol
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
(2s)-7-hydroxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
1-{3,7-dihydroxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-6-yl}ethanone
2-[(1r)-7-hydroxy-5-methyl-1,3-dihydro-2-benzofuran-1-yl]benzene-1,3-diol
(1as,7ar)-3-hydroxy-1a-(3-methylbut-2-en-1-yl)-7ah-naphtho[2,3-b]oxirene-2,7-dione
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
8-[(1e)-4-hydroxy-3-methylidenebut-1-en-1-yl]-7-methoxychromen-2-one
6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4h-1-benzofuran-2-one
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
(9s)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
8-(4-hydroxy-3-methylidenebut-1-en-1-yl)-7-methoxychromen-2-one
6-hydroxy-2,3,3-trimethyl-2h-naphtho[1,2-b]furan-4,5-dione
3'-methoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-3'-ene-2',5'-dione
6-hydroxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
(4s)-4-hydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
5-hydroxy-2,8,8-trimethylpyrano[2,3-h]chromen-4-one
(8as)-3-(hydroxymethyl)-5,8a-dimethyl-8h-naphtho[2,3-b]furan-2,7-dione
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
(s)-(4-methoxy-2h-1,3-benzodioxol-5-yl)(phenyl)methanol
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(4s)-4,8,9-trihydroxy-6-methyl-3,4-dihydro-2h-anthracen-1-one
(4r)-4,8,9-trihydroxy-6-methyl-3,4-dihydro-2h-anthracen-1-one
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"}
4-methoxy-9,10-dihydrophenanthrene-2,3,7-triol
{"Ingredient_id": "HBIN010626","Ingredient_name": "4-methoxy-9,10-dihydrophenanthrene-2,3,7-triol","Alias": "NA","Ingredient_formula": "C15H14O4","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)CCC3=CC(=C(C=C32)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
{"Ingredient_id": "HBIN013600","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C15H14O4","Ingredient_Smile": "NA","Ingredient_weight": "258.27","OB_score": "NA","CAS_id": "85799-14-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7386","PubChem_id": "NA","DrugBank_id": "NA"}
(12r)-6-methyl-12-(3-oxobutyl)-4,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-10-one
1-(3-acetyl-4,5-dihydroxynaphthalen-2-yl)propan-2-one
(3s)-3-hydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
methyl (1s,5s)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
4-[(1e)-2-(3-hydroxyphenyl)ethenyl]-3-methoxybenzene-1,2-diol
(6s)-1,6-dihydroxy-6-methyl-7,8-dihydro-5h-anthracene-9,10-dione
6-[2-(3-hydroxyphenyl)ethyl]-2h-1,3-benzodioxol-4-ol
(4s)-6-hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13)-tetraene-10,11-dione
3-[(1e)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol
(3r)-3-hydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
(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
6-methyl-12-(3-oxobutyl)-4,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-10-one
{[(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
(2s)-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-6,7-diol
7-hydroxy-2,3,3-trimethyl-2h-naphtho[1,2-b]furan-4,5-dione
(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
(4r)-4-hydroperoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
4,5-dimethoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one
7-hydroxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
(2s)-1-[(4s)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid
5-amino-1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboximidic acid
methyl (1s,5r)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-methylidenepentanoic acid
(9ar)-5-(hydroxymethyl)-3,8-dimethyl-9h,9ah-azuleno[6,5-b]furan-2,7-dione
(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)
methyl 7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
9-hydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
methyl (1r,2s,3s,5s,8s)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(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
(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
(e)-n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
C14H14N2O3 (258.10043740000003)
(5r)-5-[(2s)-2-[(2r,3s)-3-[(1s)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
3-methoxy-2,3-dimethylpyrazino[1,2-a]indole-1,4-dione
C14H14N2O3 (258.10043740000003)
(1r)-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)