Exact Mass: 388.0494

Exact Mass Matches: 388.0494

Found 234 metabolites which its exact mass value is equals to given mass value 388.0494, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dUDP

[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C9H14N2O11P2 (388.0073)


dUDP is a derivative of nucleic acid UTP, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been removed (hence the deoxy- part of the name). Additionally, the diphosphate of the name indicates that one of the phosphoryl groups of UTP has been removed, most likely by hydrolysis . [HMDB]. dUDP is found in many foods, some of which are yardlong bean, jackfruit, parsley, and red beetroot. dUDP is a derivative of nucleic acid UTP, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been removed (hence the deoxy- part of the name). Additionally, the diphosphate of the name indicates that one of the phosphoryl groups of UTP has been removed, most likely by hydrolysis (Wikipedia).

   

Betanidin

(1E)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate

C18H16N2O8 (388.0907)


Minor congener of Betanidin. Isobetanidin is found in root vegetables. Isobetanidin is found in root vegetables. Minor congener of Betanidi

   

Dopaxanthin quinone

(4E)-4-[(2E)-2-{[1-carboxy-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

C18H16N2O8 (388.0907)


Dopaxanthin quinone is produced by the reaction between dopaxanthin and oxygen, with water as a byproduct. A tyrosinase precursor enzyme catalyzes the reaction. [HMDB] Dopaxanthin quinone is produced by the reaction between dopaxanthin and oxygen, with water as a byproduct. A tyrosinase precursor enzyme catalyzes the reaction.

   

Penicillin V potassium

Penicillin V potassium

C16H17KN2O5S (388.0495)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Triflupromazine hydrochloride

Triflupromazine hydrochloride

C18H20ClF3N2S (388.0988)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics

   

Oxyquinoline sulfate

Oxyquinoline sulfate

C18H16N2O6S (388.0729)


C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent

   

Urolithin B 3-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-Oxo-6H-Benzo[C]Chromen-3-Yl}Oxy)Oxane-2-Carboxylic acid

C19H16O9 (388.0794)


Urolithin B 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

2-[4-Acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid

2-{3-[(4-chlorophenyl)sulphanyl]-4-[(1-hydroxyethylidene)amino]-2-methyl-1H-indol-1-yl}acetic acid

C19H17ClN2O3S (388.0648)


   

2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid

2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid

C18H22Cl2O5 (388.0844)


   

2-hydroxy-3-butenylglucosinolate

2-({3-hydroxy-1-[(sulphonatooxy)imino]pent-4-en-1-yl}sulphanyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C11H18NO10S2 (388.0372)


2-hydroxy-3-butenylglucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 2-hydroxy-3-butenylglucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-hydroxy-3-butenylglucosinolate can be found in a number of food items such as wax gourd, sweet marjoram, bamboo shoots, and chicory roots, which makes 2-hydroxy-3-butenylglucosinolate a potential biomarker for the consumption of these food products.

   
   
   

Gossypetin 7,4-dimethyl ether 8-acetate

Gossypetin 7,4-dimethyl ether 8-acetate

C19H16O9 (388.0794)


   

5,7,2,5-Tetrahydroxy-3,4-dimethoxyflavone 5-acetate

5,7,2,5-Tetrahydroxy-3,4-dimethoxyflavone 5-acetate

C19H16O9 (388.0794)


   

Betanidin

Betanidin

C18H16N2O8 (388.0907)


D004396 - Coloring Agents > D050859 - Betacyanins D004396 - Coloring Agents > D050858 - Betalains

   

3,5-Dihydroxy-6,7,8-trimethoxy-3,4-methylenedioxyflavone

3,5-Dihydroxy-6,7,8-trimethoxy-3,4-methylenedioxyflavone

C19H16O9 (388.0794)


   

2-{[2,2,2-trifluoro-1-[(isopropoxycarbonyl)amino]-1-(trifluoromethyl)ethyl]amino}benzoic acid

2-{[2,2,2-trifluoro-1-[(isopropoxycarbonyl)amino]-1-(trifluoromethyl)ethyl]amino}benzoic acid

C14H14F6N2O4 (388.0858)


   
   
   
   

3,4,6a,12a-Tetrahydro-4a,12b-epoxy-2,3,6a,8,12a-pentahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione

3,4,6a,12a-Tetrahydro-4a,12b-epoxy-2,3,6a,8,12a-pentahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione

C19H16O9 (388.0794)


   

8-methylmenegazziaic acid

8-methylmenegazziaic acid

C19H16O9 (388.0794)


   
   

SCHEMBL940163

SCHEMBL940163

C19H16O9 (388.0794)


   

erimopyrone|[1R,2S]-1-(6-carboxy-2-oxo-2H-4-pyranyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid

erimopyrone|[1R,2S]-1-(6-carboxy-2-oxo-2H-4-pyranyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid

C18H12O10 (388.043)


   

2-bromo-3-chloro-5-acetoxy-chamigra-7(14),9-dien-8-one|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro<5.5>undec-8-en-1-yl acetate|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro[5.5]undec-8-en-1-yl acetate

2-bromo-3-chloro-5-acetoxy-chamigra-7(14),9-dien-8-one|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro<5.5>undec-8-en-1-yl acetate|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro[5.5]undec-8-en-1-yl acetate

C17H22BrClO3 (388.0441)


   

Salazinic acid

Salazinic acid

C18H12O10 (388.043)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Origin: Microbe, Carboxylic acids

   

Cryptostictic acid

Cryptostictic acid

C19H16O9 (388.0794)


   

neuropogonin B

neuropogonin B

C19H16O9 (388.0794)


   

9-methylprotocetraric acid

9-methylprotocetraric acid

C19H16O9 (388.0794)


   

3,6,8-Trimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone

3,6,8-Trimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone

C19H16O9 (388.0794)


   

Ohioensin G

Ohioensin G

C23H16O6 (388.0947)


   

Chrysoquinone A

Chrysoquinone A

C19H16O9 (388.0794)


   

Hydnuferruginin

Hydnuferruginin

C18H12O10 (388.043)


   

4,6-Diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

4,6-Diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

C18H12O10 (388.043)


   

(+)-4-acetoxymarilzallene

(+)-4-acetoxymarilzallene

C17H22BrClO3 (388.0441)


A natural product found in Laurencia marilzae.

   

4,4-dibromo-5-ethyl-5-((Z)-pent-2-en-4-ynyl)octahydro-[2,2]-bifuran|elatenyne

4,4-dibromo-5-ethyl-5-((Z)-pent-2-en-4-ynyl)octahydro-[2,2]-bifuran|elatenyne

C16H22Br2O (388.0037)


   

2,6-Pyridinedicarboxylicacid,4-[2-[(2S)-2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-,(2S)-

2,6-Pyridinedicarboxylicacid,4-[2-[(2S)-2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-,(2S)-

C18H16N2O8 (388.0907)


   

Sydoxanthone A

Sydoxanthone A

C19H16O7S (388.0617)


   

Violet-quinone

Violet-quinone

C23H16O6 (388.0947)


   
   
   

(2S)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methylanthraquinone-2-carboxylate

(2S)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methylanthraquinone-2-carboxylate

C19H16O9 (388.0794)


   

Ohioensin F

Ohioensin F

C23H16O6 (388.0947)


   

1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

C18H12O10 (388.043)


   
   

3,3-Methylenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)

3,3-Methylenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)

C23H16O6 (388.0947)


   

2-Methoxypsoromic acid

2-Methoxypsoromic acid

C19H16O9 (388.0794)


   

2,2,3,3-Tetrafluor-propyloxymethyl-penicillin

2,2,3,3-Tetrafluor-propyloxymethyl-penicillin

C13H16F4N2O5S (388.0716)


   

Hypoconstictic acid

Hypoconstictic acid

C19H16O9 (388.0794)


   

1,1,4,4-Tetrahydro-1,1,4,4-tetraoxo-3-hydroxy-2,2-binaphthalene-3-carboxylic acid methyl ester

1,1,4,4-Tetrahydro-1,1,4,4-tetraoxo-3-hydroxy-2,2-binaphthalene-3-carboxylic acid methyl ester

C22H12O7 (388.0583)


   

VER-50589

5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-(4-Methoxyphenyl)isoxazole-3-Carboxamide

C19H17ClN2O5 (388.0826)


   

12A-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid

12A-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid

C19H16O9 (388.0794)


   
   

Repenol

6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone

C18H12O10 (388.043)


   

Dopaxanthin quinone

Dopaxanthin quinone

C18H16N2O8 (388.0907)


   

Asp-Phe-OH

(S)-2-(3-(carboxymethoxy)-4-nitrobenzamido)-3-phenylpropanoic acid

C18H16N2O8 (388.0907)


   

Phe-Asp-OH

(S)-2-(3-(benzyloxy)-4-nitrobenzamido)pentanedioic acid

C18H16N2O8 (388.0907)


   

Met-Met-OH

(S)-5-(methylthio)-2-(3-(2-(methylthio)ethoxy)-4-nitrobenzamido)pentanoic acid

C15H20N2O6S2 (388.0763)


   

Urolithin B 3-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-Oxo-6H-Benzo[C]Chromen-3-Yl}Oxy)Oxane-2-Carboxylic acid

C19H16O9 (388.0794)


   

(N-HYDROXYCARBAMIMIDOYL)-ACETICACID

(N-HYDROXYCARBAMIMIDOYL)-ACETICACID

C17H24Cl2Zr (388.0302)


   

1-amino-4-(benzothiazol-2-ylthio)anthraquinone

1-amino-4-(benzothiazol-2-ylthio)anthraquinone

C21H12N2O2S2 (388.034)


   
   

Pamoic acid

Pamoic acid

C23H16O6 (388.0947)


Pamoic acid (Embonic acid) is a potent GPR35 agonist with an EC50 of 79 nM. Pamoic acid exhibits neuroprotective and anti-inflammatory properties[1][2].

   

3-chloro-2-oxopropyl triphenylphosphonium chloride

3-chloro-2-oxopropyl triphenylphosphonium chloride

C21H19Cl2OP (388.0551)


   

Estrone sulfate potassium

Estrone sulfate potassium

C18H21KO5S (388.0747)


Estrone sulfate potassium is a natural endogenous steroid and is an estrogen ester and conjugate[1].

   

tert-Butyl (3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate

tert-Butyl (3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate

C16H16ClF3N4O2 (388.0914)


   

ETHYL 4,6-BIS(4-CHLOROPHENYL)-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE

ETHYL 4,6-BIS(4-CHLOROPHENYL)-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE

C21H18Cl2O3 (388.0633)


   

2-[(4-chloro-2-nitrophenyl)azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide

2-[(4-chloro-2-nitrophenyl)azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide

C18H17ClN4O4 (388.0938)


   

2,3,4,5,6-pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

2,3,4,5,6-pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

C15H11Cl2F5O2 (388.0056)


   

2-(4-Boc-piperazinyl)-α-(3,4-dichloro-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(3,4-dichloro-phenyl)acetic acid

C17H22Cl2N2O4 (388.0957)


   

7-(4-bromobutoxy)-5-hydroxy-2-phenylchromen-4-one

7-(4-bromobutoxy)-5-hydroxy-2-phenylchromen-4-one

C19H17BrO4 (388.031)


   

Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(2,3,4,5,6-pentafluorophenyl)methyl ester, (1R,3S)-

Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(2,3,4,5,6-pentafluorophenyl)methyl ester, (1R,3S)-

C15H11Cl2F5O2 (388.0056)


   
   

dimethyl 4-[2,6-bis(methoxycarbonyl)pyridin-4-yl]pyridine-2,6-dicarboxylate

dimethyl 4-[2,6-bis(methoxycarbonyl)pyridin-4-yl]pyridine-2,6-dicarboxylate

C18H16N2O8 (388.0907)


   

tert-butyldiphenylsilyl triflate)

tert-butyldiphenylsilyl triflate)

C17H19F3O3SSi (388.0776)


   

NAPHTHOL AS-BS-PHOSPHATE

NAPHTHOL AS-BS-PHOSPHATE

C17H13N2O7P (388.046)


   
   

Zoledronate disodium hydrate

Zoledronic Acid, Disodium Salt, Tetrahydrate

C5H16N2Na2O11P2 (388.0025)


C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

4-Bromo-1-trityl-1H-pyrazole

4-Bromo-1-trityl-1H-pyrazole

C22H17BrN2 (388.0575)


   
   

2-(2-anilinovinyl)-3-(2-carboxyethyl)benzoxazolium bromide

2-(2-anilinovinyl)-3-(2-carboxyethyl)benzoxazolium bromide

C18H17BrN2O3 (388.0422)


   

Rhodium(3+) chloride - 1,2-ethanediamine (1:3:3)

Rhodium(3+) chloride - 1,2-ethanediamine (1:3:3)

C6H24Cl3N6Rh (388.0183)


   

diheptyltin dichloride

diheptyltin dichloride

C14H30Cl2Sn (388.0746)


   

2-Bromo-1-trityl-1H-imidazole

2-Bromo-1-trityl-1H-imidazole

C22H17BrN2 (388.0575)


   

5-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,6-naphthyridine

5-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,6-naphthyridine

C23H17ClN2O2 (388.0978)


   

Bisphenol A diphosphate

Bisphenol A diphosphate

C15H18O8P2 (388.0477)


   

4-Bromo-1-trityl-1H-imidazole

4-Bromo-1-trityl-1H-imidazole

C22H17BrN2 (388.0575)


   

triphenylcarbenium hexafluorophosphate

triphenylcarbenium hexafluorophosphate

C19H15F6P (388.0816)


   

2-(4-Boc-piperazinyl)-α-(2,4-dichloro-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(2,4-dichloro-phenyl)acetic acid

C17H22Cl2N2O4 (388.0957)


   
   

tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate

tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate

C15H21IN2O2 (388.0648)


   

Tris(trimethylsilyl) antimonite

Tris(trimethylsilyl) antimonite

C9H27O3SbSi3 (388.0306)


   

2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE

2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE

C15H20N2O8S (388.094)


   

2,4,6,8-Tetramethyl-2-(2-(trimethoxysilyl)ethyl)cyclotetrasiloxane

2,4,6,8-Tetramethyl-2-(2-(trimethoxysilyl)ethyl)cyclotetrasiloxane

C9H28O7Si5 (388.0681)


   

(5R)-5-(Chloromethyl)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-1,3-oxazolidin-2-one

(5R)-5-(Chloromethyl)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-1,3-oxazolidin-2-one

C17H14ClFN6O2 (388.0851)


   

1-butyl-2,3-dimethylimidazolium hexafluoroantimonate

1-butyl-2,3-dimethylimidazolium hexafluoroantimonate

C9H17F6N2Sb (388.0334)


   

6-DesMethyl-6-carboxy Etoricoxib

6-DesMethyl-6-carboxy Etoricoxib

C18H13ClN2O4S (388.0285)


   

diethyl 4,4-dinitro-[1,1-biphenyl]-2,2-dicarboxylate

diethyl 4,4-dinitro-[1,1-biphenyl]-2,2-dicarboxylate

C18H16N2O8 (388.0907)


   

6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

C16H14F2O9 (388.0606)


   

1-chloro-4-(3-iodopropoxy)benzene

1-chloro-4-(3-iodopropoxy)benzene

C16H18ClIO (388.0091)


   

5(4H)-Oxazolone,4-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-2-phenyl-

5(4H)-Oxazolone,4-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-2-phenyl-

C20H18Cl2N2O2 (388.0745)


   

N-Carbobenzyloxy-L-arginine hydrobromide

N-Carbobenzyloxy-L-arginine hydrobromide

C14H21BrN4O4 (388.0746)


   
   

bis(acetato-O)dioxouranium

bis(acetato-O)dioxouranium

C4H6O6U (388.0672)


   

AZD1981

2-(4-Acetamido-3-((4-chlorophenyl)thio)-2-methyl-1H-indol-1-yl)acetic acid

C19H17ClN2O3S (388.0648)


   

3-(1h,1h,7h-dodecafluoroheptyloxy)-1,2-epoxypropane

3-(1h,1h,7h-dodecafluoroheptyloxy)-1,2-epoxypropane

C10H8F12O2 (388.0333)


   

Tricarbonyl(mesitylene)tungsten

Tricarbonyl(mesitylene)tungsten

C12H12O3W (388.0296)


   

Ethylenediaminetetraacetate-zinc-ammonia complex

Ethylenediaminetetraacetate-zinc-ammonia complex

C10H20N4O8Zn (388.0573)


   

2-(5-BROMO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)ADAMANTANE

2-(5-BROMO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)ADAMANTANE

C18H20BrF3O (388.065)


   

2-[4-Methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one

2-[4-Methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one

C19H20N2O3S2 (388.0915)


   

DIETHYLENETRIAMINEPENTAACETATE

DIETHYLENETRIAMINEPENTAACETATE

C14H18N3O10-5 (388.0992)


   
   

2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide

2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide

C21H16N4O2S (388.0994)


   

5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide

5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide

C18H17BrN2O3 (388.0422)


   
   

5-Bromo-N[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide

5-Bromo-N[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide

C18H21BrN4O+2 (388.0899)


   

3-[4-(4-Luorophenyl)sulonylpiperazin-1-yl]chromen-4-one

3-[4-(4-Luorophenyl)sulonylpiperazin-1-yl]chromen-4-one

C19H17FN2O4S (388.0893)


   

2-Methylsulfonylmethyl-3,4,5-triacetoxybenzyl methyl ether

2-Methylsulfonylmethyl-3,4,5-triacetoxybenzyl methyl ether

C16H20O9S (388.0828)


   

2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid

2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid

C18H22Cl2O5 (388.0844)


   
   
   

(S)-2-hydroxy-3-butenyl glucosinolate

(S)-2-hydroxy-3-butenyl glucosinolate

C11H18NO10S2- (388.0372)


   

(R)-2-hydroxy-but3-enyl-glucosinolate

(R)-2-hydroxy-but3-enyl-glucosinolate

C11H18NO10S2- (388.0372)


   

2-Carboxy-1-[(2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-2,3-dihydro-5,6-dihydroxy-1H-indolium hydroxide inner salt

2-Carboxy-1-[(2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-2,3-dihydro-5,6-dihydroxy-1H-indolium hydroxide inner salt

C18H16N2O8 (388.0907)


   

(4E)-4-[2-[1-carboxy-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(4E)-4-[2-[1-carboxy-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C18H16N2O8 (388.0907)


   

2-hydroxy-3-butenylglucosinolate

2-hydroxy-3-butenylglucosinolate

C11H18NO10S2- (388.0372)


   
   

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H16N4O3S2 (388.0664)


   

(2E)-N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide

(2E)-N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide

C17H16N4O3S2 (388.0664)


   

6-[(2-methoxyphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

6-[(2-methoxyphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

C18H16N2O6S (388.0729)


   

1-S-[3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose

1-S-[3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose

C11H18NO10S2- (388.0372)


   

(-)-4-Acetoxymarilzallene, (rel)-

(-)-4-Acetoxymarilzallene, (rel)-

C17H22BrClO3 (388.0441)


A natural product found in Laurencia marilzae.

   

10-Bromoporphyrin

10-Bromoporphyrin

C20H13BrN4 (388.0324)


   

2-Bromoporphyrin

2-Bromoporphyrin

C20H13BrN4 (388.0324)


   

N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide

N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide

C17H16N4O5S (388.0841)


   

N-(2,1,3-benzothiadiazol-4-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C17H10ClFN4O2S (388.0197)


   

N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydron;chloride

N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydron;chloride

C18H20ClF3N2S (388.0988)


   

2-(4-Bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester

2-(4-Bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester

C17H13BrN2O4 (388.0059)


   

N(6)-carbamoylmethyl-2-deoxyadenosine 5-monophosphate

N(6)-carbamoylmethyl-2-deoxyadenosine 5-monophosphate

C12H17N6O7P (388.0896)


A nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.

   

N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide

N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide

C17H16N4O5S (388.0841)


   

N-[2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)-pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)-pyridine-3-carboxamide

C17H13Cl2F3N2O (388.0357)


   
   

1-[(2-Carboxy-3-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

1-[(2-Carboxy-3-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

C23H16O6 (388.0947)


   

2-Chloro-5-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid

2-Chloro-5-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid

C18H14Cl2N4O2 (388.0494)


   

(R)-2-Hydroxy-3-butenyl glucosinolate

(R)-2-Hydroxy-3-butenyl glucosinolate

C11H18NO10S2- (388.0372)


   

4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid

4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid

C21H12N2O4S (388.0518)


   

(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(17S)-5,13,17-Trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

(17S)-5,13,17-Trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

C18H12O10 (388.043)


   

(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

C14H17BrN2O4S (388.0092)


   

trans-Cinnamyl methyl 2-tosylmalonate

trans-Cinnamyl methyl 2-tosylmalonate

C20H20O6S (388.0981)


   

O-(N-acetylglucosamine-1-phosphoryl)-L-serine

O-(N-acetylglucosamine-1-phosphoryl)-L-serine

C11H21N2O11P (388.0883)


   

6-[(3-Bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid

6-[(3-Bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid

C14H17BrN2O6 (388.027)


   

1-S-[(1Z)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose

1-S-[(1Z)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose

C12H22NO9S2- (388.0736)


   

1-S-[(1Z)-3-methyl-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose

1-S-[(1Z)-3-methyl-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose

C12H22NO9S2- (388.0736)


   
   

1-S-[(3S)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose

1-S-[(3S)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose

C11H18NO10S2- (388.0372)


   

(Z)-4-(1,3-Benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid

(Z)-4-(1,3-Benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid

C18H13ClN2O4S (388.0285)


   

6-[5-(2-Carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[5-(2-Carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O12 (388.0642)


   

2-amino-7-[4-hydroxy-5-(phosphonooxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

2-amino-7-[4-hydroxy-5-(phosphonooxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C12H13N4O9P (388.042)


   

6-Hydroxyflavanone hydrogenephthalate

6-Hydroxyflavanone hydrogenephthalate

C23H16O6 (388.0947)


   

Deoxyuridine-5-diphosphate

Deoxyuridine-5-diphosphate

C9H14N2O11P2 (388.0073)


   

xi-progoitrin(1-)

xi-progoitrin(1-)

C11H18NO10S2 (388.0372)


A glucosinolate resulting from the removal of a proton from the oxime hydrogen sulfate moiety of xi-progoitrin.

   

progoitrin(1-)

progoitrin(1-)

C11H18NO10S2 (388.0372)


A xi-progoitrin(1-) that is the conjugate base of progoitrin.

   

epi-progoitrin(1-)

epi-progoitrin(1-)

C11H18NO10S2 (388.0372)


A xi-progoitrin(1-) that is the conjugate base of epi-progoitrin.

   

2-methylbutylglucosinolate

2-methylbutylglucosinolate

C12H22NO9S2 (388.0736)


An alkylglucosinolate that is the conjugate base of 2-methylbutylglucosinolic acid.

   

pentylglucosinolate

pentylglucosinolate

C12H22NO9S2 (388.0736)


An alkylglucosinolate that is the conjugate base of pentylglucosinolic acid.

   

1-Phosphatidyl-1D-myo-inositol

1-Phosphatidyl-1D-myo-inositol

C11H17O13P (388.0407)


A phosphatidylinositol in which the inositol moiety is the 1D-myo isomer and the phosphatidyl group is located at its position 1.

   
   

S6K1-IN-DG2

S6K1-IN-DG2

C16H17BrN6O (388.0647)


S6K1-IN-DG2 (Compound 66) is a p70S6K inhibitor (IC50: < 100 nM)[1].

   

SB 204990

SB 204990

C18H22Cl2O5 (388.0844)


SB 204990 is a potent and specific inhibitor of ATP citrate lyase (ACLY) enzyme.

   

(2r,4r,5r,8r)-4-bromo-2-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-8-ethyl-3,4,5,8-tetrahydro-2h-oxocin-5-yl acetate

(2r,4r,5r,8r)-4-bromo-2-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-8-ethyl-3,4,5,8-tetrahydro-2h-oxocin-5-yl acetate

C17H22BrClO3 (388.0441)


   

(2r)-2-carboxy-1-{2-[(2r)-2-carboxy-6-carboxylato-2,3-dihydro-1h-pyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1h-1λ⁵-indol-1-ylium

(2r)-2-carboxy-1-{2-[(2r)-2-carboxy-6-carboxylato-2,3-dihydro-1h-pyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1h-1λ⁵-indol-1-ylium

C18H16N2O8 (388.0907)


   

(1s,2r,11r,14r,16s,17s)-2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione

(1s,2r,11r,14r,16s,17s)-2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione

C19H16O9 (388.0794)


   

(1r,3r,4s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

(1r,3r,4s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

C17H22BrClO3 (388.0441)


   

11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one

11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one

C20H17ClO6 (388.0714)


   

2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione

2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione

C19H16O9 (388.0794)


   

(1s,3r,4r,6r)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

(1s,3r,4r,6r)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

C17H22BrClO3 (388.0441)


   

(5e)-5-[(6-bromo-1-propanoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one

(5e)-5-[(6-bromo-1-propanoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one

C17H17BrN4O2 (388.0535)


   

(17r)-13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

(17r)-13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol

5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol

C19H20N2O3S2 (388.0915)


   

(2r,3z,5r,6r,8r)-6-bromo-8-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-ethyl-5,6,7,8-tetrahydro-2h-oxocin-5-yl acetate

(2r,3z,5r,6r,8r)-6-bromo-8-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-ethyl-5,6,7,8-tetrahydro-2h-oxocin-5-yl acetate

C17H22BrClO3 (388.0441)


   

(1r,2r)-1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

(1r,2r)-1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

C18H12O10 (388.043)


   

13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

2-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-3,5-dimethoxy-p-benzoquinone

2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-cyclohexa-2,5-diene-1,4-dione; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-2-chromenyl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione

C19H16O9 (388.0794)


{"Ingredient_id": "HBIN004681","Ingredient_name": "2-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-3,5-dimethoxy-p-benzoquinone","Alias": "2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-cyclohexa-2,5-diene-1,4-dione; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-2-chromenyl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione","Ingredient_formula": "C19H16O9","Ingredient_Smile": "NA","Ingredient_weight": "388.32","OB_score": "9.967632099","CAS_id": "149420-75-7","SymMap_id": "SMIT11228","TCMID_id": "NA","TCMSP_id": "MOL010158","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

9'-(o-methyl)protocetraricacid

NA

C19H16O9 (388.0794)


{"Ingredient_id": "HBIN014170","Ingredient_name": "9'-(o-methyl)protocetraricacid","Alias": "NA","Ingredient_formula": "C19H16O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14689","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

βetanidin

NA

C18H16N2O8 (388.0907)


{"Ingredient_id": "HBIN018102","Ingredient_name": "\u03b2etanidin","Alias": "NA","Ingredient_formula": "C18H16N2O8","Ingredient_Smile": "C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

betanidin

betanidin radical

C18H16N2O8 (388.0907)


{"Ingredient_id": "HBIN018205","Ingredient_name": "betanidin","Alias": "betanidin radical","Ingredient_formula": "C18H16N2O8","Ingredient_Smile": "C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O","Ingredient_weight": "388.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18318","TCMID_id": "23207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137218006","DrugBank_id": "NA"}

   

(1r,2s)-1-(2-carboxy-6-oxopyran-4-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

(1r,2s)-1-(2-carboxy-6-oxopyran-4-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

C18H12O10 (388.043)


   

(1r,15r,23s)-4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one

(1r,15r,23s)-4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one

C23H16O6 (388.0947)


   

(3r,4s,6s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

(3r,4s,6s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

C17H22BrClO3 (388.0441)


   

5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carboxylic acid

5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carboxylic acid

C18H12O10 (388.043)


   

4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate

C17H22BrClO3 (388.0441)


   

7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione

7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione

C20H17ClO6 (388.0714)


   

(3s,6e)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione

(3s,6e)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione

C14H20Cl4N2O2 (388.0279)


   

6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one

6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one

C23H16O6 (388.0947)


   

methyl 6-[(acetyloxy)methyl]-8-hydroxy-2-(methylsulfanyl)-9-oxoxanthene-1-carboxylate

methyl 6-[(acetyloxy)methyl]-8-hydroxy-2-(methylsulfanyl)-9-oxoxanthene-1-carboxylate

C19H16O7S (388.0617)


   

15-formyl-14-hydroxy-6,13-dimethoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-4-carboxylic acid

15-formyl-14-hydroxy-6,13-dimethoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-4-carboxylic acid

C19H16O9 (388.0794)


   

2-(2h-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(2h-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H16O9 (388.0794)


   

4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one

4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one

C23H16O6 (388.0947)


   

(17s)-4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

(17s)-4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

(1r,14r,15s,23s)-6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one

(1r,14r,15s,23s)-6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one

C23H16O6 (388.0947)


   

8,18-dihydroxy-20-methoxy-6,16-dimethyl-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione

8,18-dihydroxy-20-methoxy-6,16-dimethyl-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione

C23H16O6 (388.0947)


   

(10s,11r,12r,12br)-11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one

(10s,11r,12r,12br)-11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one

C20H17ClO6 (388.0714)


   

2-chloro-7-[(1e)-hex-1-en-1-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione

2-chloro-7-[(1e)-hex-1-en-1-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione

C20H17ClO6 (388.0714)


   

(17r)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-4,7-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

(17r)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-4,7-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

2-chloro-7-(hex-1-en-1-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione

2-chloro-7-(hex-1-en-1-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione

C20H17ClO6 (388.0714)


   

(1s)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1h-indol-3-yl)ethyl]amino}ethanol

(1s)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1h-indol-3-yl)ethyl]amino}ethanol

C19H21BrN2O2 (388.0786)


   

(3s,6z)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione

(3s,6z)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione

C14H20Cl4N2O2 (388.0279)


   

(2s)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

(2s)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

C19H16O9 (388.0794)


   

(2s)-4-[(1e)-2-[(2r)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

(2s)-4-[(1e)-2-[(2r)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

C18H16N2O8 (388.0907)


   

methyl 3'-hydroxy-1,1',4,4'-tetraoxo-[2,2'-binaphthalene]-3-carboxylate

methyl 3'-hydroxy-1,1',4,4'-tetraoxo-[2,2'-binaphthalene]-3-carboxylate

C22H12O7 (388.0583)


   

(1s,5'r,6'r,7's)-7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione

(1s,5'r,6'r,7's)-7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione

C20H17ClO6 (388.0714)


   

(2r,5'r,7s,7as)-5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol

(2r,5'r,7s,7as)-5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol

C19H20N2O3S2 (388.0915)


   

15-formyl-6,14-dihydroxy-7-(methoxymethyl)-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

15-formyl-6,14-dihydroxy-7-(methoxymethyl)-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

C19H16O9 (388.0794)


   

(5z)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-isopropylfuran-2-one

(5z)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-isopropylfuran-2-one

C21H18Cl2O3 (388.0633)


   

2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione

2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione

C19H16O9 (388.0794)


   

2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

C19H16O9 (388.0794)


   

4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

[hydroxy([(2r,3s,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxyphosphonic acid

[hydroxy([(2r,3s,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxyphosphonic acid

C9H14N2O11P2 (388.0073)


   

3-(3,3-dichloro-2-methylpropyl)-6-(3,3-dichloro-2-methylpropylidene)-1,4-dimethylpiperazine-2,5-dione

3-(3,3-dichloro-2-methylpropyl)-6-(3,3-dichloro-2-methylpropylidene)-1,4-dimethylpiperazine-2,5-dione

C14H20Cl4N2O2 (388.0279)


   

2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one

2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one

C19H16O9 (388.0794)


   

3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-isopropylfuran-2-one

3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-isopropylfuran-2-one

C21H18Cl2O3 (388.0633)


   

5-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-4-hydroxy-2-methoxyphenyl acetate

5-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-4-hydroxy-2-methoxyphenyl acetate

C19H16O9 (388.0794)


   

5-hydroxy-3-[(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)methyl]-2-methylnaphthalene-1,4-dione

5-hydroxy-3-[(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)methyl]-2-methylnaphthalene-1,4-dione

C23H16O6 (388.0947)


   

(2r)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

(2r)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

C19H16O9 (388.0794)


   

13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-4,7-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-4,7-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione

C19H16O9 (388.0794)


   

(17r)-5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde

(17r)-5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde

C18H12O10 (388.043)


   

1-benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione

1-benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione

C14H16N2O3S4 (388.0044)