Exact Mass: 412.0794

Exact Mass Matches: 412.0794

Found 303 metabolites which its exact mass value is equals to given mass value 412.0794, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Podophyllotoxone

(5AR,8AR,9R)-9-(3,4,5-TRIMETHOXYPHENYL)-5A,6,8A,9-TETRAHYDROISOBENZOFURANO[5,6-F][1,3]BENZODIOXOLE-5,8-DIONE

C22H20O8 (412.1158)


Podophyllotoxone is a lactone and a lignan. Podophyllotoxone is a natural product found in Diphylleia grayi, Podophyllum peltatum, and other organisms with data available. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].

   

Ziprasidone

5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one

C21H21ClN4OS (412.1125)


Ziprasidone (marketed as Geodon, Zeldox) was the fifth atypical antipsychotic to gain FDA approval (February 2001). Ziprasidone is Food and Drug Administration (FDA) approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania associated with bipolar disorder. [Wikipedia] 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 > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Ziprasidone (CP-88059), an orally active antipsychotic agent, is a combined 5-HT and dopamine receptor antagonist[1]. Ziprasidone mesylate trihydrate has affinities for Rat D2 (Ki=4.8 nM), 5-HT2A (Ki=0.42 nM) and 5-HT1A (Ki=3.4 nM)[1].

   

Cyflufenamid

Cyflufenamide

C20H17F5N2O2 (412.121)


D016573 - Agrochemicals D010575 - Pesticides

   

Imazosulfuron

Imazosulfuron

C14H13ClN6O5S (412.0357)


Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.

   
   

aklavinone

(+-)-Aklavinone

C22H20O8 (412.1158)


   

Mollicellin C

Mollicellin C

C22H20O8 (412.1158)


A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities.

   

4-Methylamino-4-de(dimethylamino)anhydrotetracycline

4-Methylamino-4-de(dimethylamino)anhydrotetracycline

C21H20N2O7 (412.127)


   

Mollicellin C

7,14-dihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-15-carbaldehyde

C22H20O8 (412.1158)


Mollicellin C is produced by Chaetomium species and mutagenic mycotoxin. Production by Chaetomium subspecies and mutagenic mycotoxin.

   

Patientoside A

1-(4-chloro-1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one

C19H21ClO8 (412.0925)


Patientoside A is found in herbs and spices. Patientoside A is a constituent of the roots of Rumex patientia (patience dock). Constituent of the roots of Rumex patientia (patience dock). Patientoside A is found in herbs and spices.

   

O-Deethylated candesartan

2-Hydroxy-1-{[2-(2H-1,2,3,4-tetrazol-5-yl)-[1,1-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate

C22H16N6O3 (412.1284)


O-Deethylated candesartan is only found in individuals that have used or taken Candesartan.O-Deethylated candesartan is a metabolite of Candesartan. O-deethylated candesartan belongs to the family of Biphenyltetrazoles and Derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.

   

Zileuton O-glucuronide

(2S,3S,4S,5R,6S)-6-({[1-(1-benzothiophen-2-yl)ethyl](C-hydroxycarbonimidoyl)amino}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20N2O8S (412.094)


Zileuton O-glucuronide is a metabolite of zileuton. Zileuton (trade name ZYFLO) is an orally active inhibitor of 5-lipoxygenase, and thus inhibits leukotrienes (LTB4, LTC4, LTD4, and LTE4) formation. Zileuton is used for the maintenance treatment of asthma. Zileuton was introduced in 1996 by Abbott Laboratories and is now marketed in two formulations by Cornerstone Therapeutics Inc. under the brand names ZYFLO and ZYFLO CR. The original immediate-release formulation of zileuton, known as ZYFLO, is taken four times per day. (Wikipedia)

   

(2S,3S,4S,5R)-6-(Benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[({2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-yl}(hydroxy)methylidene)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20N2O7 (412.127)


   

Methyl (1R,2R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Methyl (1R,2R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid

C22H20O8 (412.1158)


   

4,7-Diphenyl-1,10-phenanthrolinesulphonic acid

4,7-diphenyl-1,10-phenanthroline-2-sulfonic acid

C24H16N2O3S (412.0882)


   

4-Amino-5-methylamino-2',7'-difluorescein

4-amino-2,7-difluoro-3,6-dihydroxy-5-(methylamino)-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

C21H14F2N2O5 (412.0871)


   

Glycogen Phosphorylase Inhibitor

1-(2-chloro-4,5-difluorobenzoyl)-3-{2-methoxy-5-[(methylcarbamoyl)amino]phenyl}urea

C17H15ClF2N4O4 (412.075)


   

Nigrosin

8-amino-7-[2-(4-nitrophenyl)diazen-1-yl]-2-(2-phenyldiazen-1-yl)naphthalen-1-ol

C22H16N6O3 (412.1284)


   

Nitrofenac

2-((2,6-Dichlorophenyl) amino)benzeneacetate-4-hydroxybutylnitric ester

C18H18Cl2N2O5 (412.0593)


   

Patamostat

4-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]sulfanyl}phenyl 4-[(diaminomethylidene)amino]benzoate

C20H20N4O4S (412.1205)


   

Peperomin E

4-[bis(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one

C22H20O8 (412.1158)


   

PYRAOXYSTROBIN

Methyl 2-[2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyprop-2-enoic acid

C22H21ClN2O4 (412.119)


   
   
   

Cibotiumbaroside A

Cibotiumbaroside A

C18H20O11 (412.1006)


   
   

Eupachinilide C

Eupachinilide C

C20H25ClO7 (412.1289)


   
   

Arteminorin B

Arteminorin B

C21H16O9 (412.0794)


   
   

Rubiginone H

Rubiginone H

C22H20O8 (412.1158)


   

Brandisianin D

Brandisianin D

C22H20O8 (412.1158)


   

4alpha-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol

4alpha-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol

C22H20O8 (412.1158)


   

Peperomin E

Peperomin E

C22H20O8 (412.1158)


   
   
   
   

(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid

(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid

C22H20O8 (412.1158)


   

(-)-Mitorubrinic acid

(-)-Mitorubrinic acid

C21H16O9 (412.0794)


   

Mitorubrinic acid

(+)-Mitorubrinic acid

C21H16O9 (412.0794)


   

4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol

4beta- (2,4-Dihydroxy-3-methoxyphenyl) fisetinidol

C22H20O8 (412.1158)


   
   

MCULE-3635034493

MCULE-3635034493

C22H20O8 (412.1158)


   
   

Bisphenol A bis(3-chloro-2-hydroxypropyl) ether

2,2-bis[4-(3-chloro-2-hydroxypropoxy)phenyl]propane

C21H26Cl2O4 (412.1208)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5813

   

CHEMBL1719757

CHEMBL1719757

C21H16O9 (412.0794)


   

N-methylwelwitindolinone C isothiocyanate

N-methylwelwitindolinone C isothiocyanate

C22H21ClN2O2S (412.1012)


   

Kaempferol 3,4,7-triacetate

Kaempferol 3,4,7-triacetate

C21H16O9 (412.0794)


   

6abeta,6bbeta,12abeta,12bbeta-Tetrahydro-1,3,7,9-tetramethoxy-6H,12H-cyclobuta[1,2-c:3,4-c]bis[1]benzopyran-6,12-dione

6abeta,6bbeta,12abeta,12bbeta-Tetrahydro-1,3,7,9-tetramethoxy-6H,12H-cyclobuta[1,2-c:3,4-c]bis[1]benzopyran-6,12-dione

C22H20O8 (412.1158)


   

2,3-Di-Me ether,tri-Ac-2,3,4,6,7-Pentahydroxyphenanthrene

2,3-Di-Me ether,tri-Ac-2,3,4,6,7-Pentahydroxyphenanthrene

C22H20O8 (412.1158)


   

SCHEMBL3922041

SCHEMBL3922041

C22H20O6S (412.0981)


   

4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-2-naphthacenecarboxamide

4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-2-naphthacenecarboxamide

C21H20N2O7 (412.127)


   
   
   

Dihydro-3-(.alpha.-acetoxypiperonyl)-4-piperonyl-2(3H)-furanone

Dihydro-3-(.alpha.-acetoxypiperonyl)-4-piperonyl-2(3H)-furanone

C22H20O8 (412.1158)


   

(cis-head-to-head)-Limettin dimer

(cis-head-to-head)-Limettin dimer

C22H20O8 (412.1158)


   

3-[(1,3-Benzodioxole-5-yl)methyl]-4-[(1,3-benzodioxole-5-yl)(acetoxy)methyl]tetrahydrofuran-2-one

3-[(1,3-Benzodioxole-5-yl)methyl]-4-[(1,3-benzodioxole-5-yl)(acetoxy)methyl]tetrahydrofuran-2-one

C22H20O8 (412.1158)


   

Dehydroheliobuphthalmin

Dehydroheliobuphthalmin

C22H20O8 (412.1158)


   

8-deacetylcentaurepensin-8-O-(4-hydroxy)tiglate|8-deacylcentaurepensin 8-O-(4-hydroxy)-tiglate|8-desacetylcentaurepensin-8-O-(4-hydroxytiglinate)

8-deacetylcentaurepensin-8-O-(4-hydroxy)tiglate|8-deacylcentaurepensin 8-O-(4-hydroxy)-tiglate|8-desacetylcentaurepensin-8-O-(4-hydroxytiglinate)

C20H25ClO7 (412.1289)


   

1-hydroxycollybolide

1-hydroxycollybolide

C22H20O8 (412.1158)


   

9-hydroxycollybolide

9-hydroxycollybolide

C22H20O8 (412.1158)


   

4-hydroxy-3-methoxy-(S)-mitorubrin

4-hydroxy-3-methoxy-(S)-mitorubrin

C22H20O8 (412.1158)


   

3,5,7-tri-O-acetylhesperetin

3,5,7-tri-O-acetylhesperetin

C22H20O8 (412.1158)


   

epsilon-rhodomycinone

epsilon-rhodomycinone

C22H20O8 (412.1158)


   
   

5,7,8-trihydroxy-3,6-dimethoxyflavone 8-O-<(E)-2-methyl-2-butenoate>

5,7,8-trihydroxy-3,6-dimethoxyflavone 8-O-<(E)-2-methyl-2-butenoate>

C22H20O8 (412.1158)


   

SCHEMBL11065192

SCHEMBL11065192

C22H20O8 (412.1158)


   

Thuriferic acid

Thuriferic acid

C22H20O8 (412.1158)


   

2-(3-Methoxy-4-acetoxyphenyl)-3-(acetoxymethyl)-7-methoxybenzofuran-5-carbaldehyde

2-(3-Methoxy-4-acetoxyphenyl)-3-(acetoxymethyl)-7-methoxybenzofuran-5-carbaldehyde

C22H20O8 (412.1158)


   

3,5-Dihydroxy-7-(prenyloxy)-8-methoxy-3,4-(methylenebisoxy)flavone

3,5-Dihydroxy-7-(prenyloxy)-8-methoxy-3,4-(methylenebisoxy)flavone

C22H20O8 (412.1158)


   

(E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid|subereamine A

(E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid|subereamine A

C16H21BrN4O4 (412.0746)


   

3-[2,2-bis(7-methoxy-1,3-benzodioxol-5-yl)ethyl]furan-2(5H)-one|peperomin G

3-[2,2-bis(7-methoxy-1,3-benzodioxol-5-yl)ethyl]furan-2(5H)-one|peperomin G

C22H20O8 (412.1158)


   

aciculatinone

aciculatinone

C22H20O8 (412.1158)


   

NCGC00380419-01

NCGC00380419-01

C19H24O8S (412.1192)


   
   

2,3-dimethoxy-5-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone

2,3-dimethoxy-5-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone

C22H20O8 (412.1158)


   

1,5,8-Trihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone

1,5,8-Trihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone

C22H20O8 (412.1158)


   

4-Hydroxy-3-methyl-6,7-(methylenedioxy)-1-(3,4,5-trimethoxyphenyl)-2-naphthoic acid|junaphtoic acid

4-Hydroxy-3-methyl-6,7-(methylenedioxy)-1-(3,4,5-trimethoxyphenyl)-2-naphthoic acid|junaphtoic acid

C22H20O8 (412.1158)


   

SCHEMBL13197634

SCHEMBL13197634

C22H20O8 (412.1158)


   

Aglycone-Feudomycin B

Aglycone-Feudomycin B

C22H20O8 (412.1158)


   

2,3-dimethoxy-6-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone

2,3-dimethoxy-6-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone

C22H20O8 (412.1158)


   

15-bromo-7,16,19-trihydroxy-9(11)-pargueren-2-one

15-bromo-7,16,19-trihydroxy-9(11)-pargueren-2-one

C20H29BrO4 (412.1249)


   

xi-Rhodomycinone

xi-Rhodomycinone

C22H20O8 (412.1158)


   

(1R,3S,4S,5S,6S,7R,8S)-4beta-(chloromethyl)-3beta,4alpha-dihydroxy-8alpha-(sarracenoyloxy)-1alphaH,5alphaH,6betaH,7alphaH-guai-10(14),11(13)-dien-6,12-olide

(1R,3S,4S,5S,6S,7R,8S)-4beta-(chloromethyl)-3beta,4alpha-dihydroxy-8alpha-(sarracenoyloxy)-1alphaH,5alphaH,6betaH,7alphaH-guai-10(14),11(13)-dien-6,12-olide

C20H25ClO7 (412.1289)


   

6-hydroxy-3-methoxy-mitorubrin

6-hydroxy-3-methoxy-mitorubrin

C22H20O8 (412.1158)


   

Podophyllotoxone

Furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5aR-(5aalpha,8abeta,9alpha))-

C22H20O8 (412.1158)


d,l-Isopodophyllotoxone is a natural product found in Dysosma aurantiocaulis, Podophyllum peltatum, and other organisms with data available. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].

   

Picropodophyllone

Furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5aR-(5aalpha,8aalpha,9aalpha))-

C22H20O8 (412.1158)


Picropodopyllotoxone is a natural product found in Juniperus sabina with data available. Picropodophyllone, an aryltetralin lignan, is isolated from leaves of Podophyllum hexandrum, and has antifungal activities[1][2]. Picropodophyllone, an aryltetralin lignan, is isolated from leaves of Podophyllum hexandrum, and has antifungal activities[1][2].

   

NCGC00380243-01!

NCGC00380243-01!

C22H20O8 (412.1158)


   

Ziprasidone

Ziprasidone

C21H21ClN4OS (412.1125)


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 > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent CONFIDENCE standard compound; INTERNAL_ID 2747 CONFIDENCE standard compound; INTERNAL_ID 8529 Ziprasidone (CP-88059), an orally active antipsychotic agent, is a combined 5-HT and dopamine receptor antagonist[1]. Ziprasidone mesylate trihydrate has affinities for Rat D2 (Ki=4.8 nM), 5-HT2A (Ki=0.42 nM) and 5-HT1A (Ki=3.4 nM)[1].

   

C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid

NCGC00380419-01_C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid

C19H24O8S (412.1192)


   

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one

C22H20O8 (412.1158)


   
   

6,8-di-O-methylnidurufin

6,8-di-O-methylnidurufin

C22H20O8 (412.1158)


   

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major

C22H20O8 (412.1158)


   

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one

C22H20O8 (412.1158)


   

Cys Cys Gly Met

(2S)-2-{2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Cys Met Gly

2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Cys Cys Ser Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Cys Thr Ser

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Gly Cys Met

(2S)-2-[(2R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Gly Met Cys

(2R)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Met Cys Gly

2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Cys Met Gly Cys

(2R)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Ser Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Ser Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Thr Cys Ser

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Thr Ser Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Gly Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Gly Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Gly Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Met Cys Cys Gly

2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Met Cys Gly Cys

(2R)-2-{2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Met Gly Cys Cys

(2R)-2-[(2R)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Ser Cys Cys Thr

(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Ser Cys Thr Cys

(2R)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Ser Thr Cys Cys

(2R)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

O-Deethylated candesartan

2-hydroxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid

C22H16N6O3 (412.1284)


   

Patientoside A

1-(4-chloro-1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one

C19H21ClO8 (412.0925)


   

(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE

(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE

C23H26BrP (412.0955)


   

Dipyrrolidino(N-succinimidyloxy)carbenium hexafluorophosphate

Dipyrrolidino(N-succinimidyloxy)carbenium hexafluorophosphate

C13H21F6N3O3P (412.1225)


   

1-Chloro-9,10-bis(phenylethynyl)anthracene

1-Chloro-9,10-bis(phenylethynyl)anthracene

C30H17Cl (412.1019)


   

9,18-DIHYDROBENZO[H]BENZO[7,8]QUINO[2,3-B]ACRIDINE-7,16-DIONE

9,18-DIHYDROBENZO[H]BENZO[7,8]QUINO[2,3-B]ACRIDINE-7,16-DIONE

C28H16N2O2 (412.1212)


   

(3-amino-6-phenyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-6-phenyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

C24H16N2OS2 (412.0704)


   

niclosamide piperazine salt

niclosamide piperazine salt

C17H18Cl2N4O4 (412.0705)


   

Desfluoro Bicalutamide

Desfluoro Bicalutamide

C18H15F3N2O4S (412.0705)


   

1,5-Pentanediol,1,5-bis(4-methylbenzenesulfonate)

1,5-Pentanediol,1,5-bis(4-methylbenzenesulfonate)

C19H24O6S2 (412.1014)


   

1-(Phenylsulfonyl)indole-2-boronic acid MIDA ester,1-(Phenylsulfonyl)indole-2-boronic acid,Methyliminodiacetic acid anhydride

1-(Phenylsulfonyl)indole-2-boronic acid MIDA ester,1-(Phenylsulfonyl)indole-2-boronic acid,Methyliminodiacetic acid anhydride

C19H17BN2O6S (412.09)


   

isoamyltriphenylphosphonium bromide

isoamyltriphenylphosphonium bromide

C23H26BrP (412.0955)


   

9,10-bis-(Phenylethynyl)-2-chloroanthracene

9,10-bis-(Phenylethynyl)-2-chloroanthracene

C30H17Cl (412.1019)


   

1,3-bis(tosyloxy)-2,2-dimethylpropane

1,3-bis(tosyloxy)-2,2-dimethylpropane

C19H24O6S2 (412.1014)


   

Tetraisopropyl Dichloromethylene Diphosphonate

Tetraisopropyl Dichloromethylene Diphosphonate

C13H28Cl2O6P2 (412.0738)


   

9H-Purine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-

9H-Purine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-

C16H17ClN4O7 (412.0786)


   

(3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)(tert-butyl)dimethylsilane

(3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)(tert-butyl)dimethylsilane

C18H30BBrO3Si (412.1241)


   

Triphenylsulfonium trifluoromethanesulfonate

Triphenylsulfonium trifluoromethanesulfonate

C19H15F3O3S2 (412.0415)


   

Ethyl viologen diperchlorate

Ethyl viologen diperchlorate

C14H18Cl2N2O8 (412.044)


   
   

Pentyltriphenylphosphonium bromide

Pentyltriphenylphosphonium bromide

C23H26BrP (412.0955)


   

3-nitro-4-(2-(3-phenoxybenzylidene)hydrazinyl)benzenesulfonamide

3-nitro-4-(2-(3-phenoxybenzylidene)hydrazinyl)benzenesulfonamide

C19H16N4O5S (412.0841)


   

4-{3-Chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-hydroxy-6-quinolinecarboxamide

4-{3-Chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-hydroxy-6-quinolinecarboxamide

C20H17ClN4O4 (412.0938)


   

Ethyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate acetate (1:1)

Ethyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate acetate (1:1)

C17H20N2O8S (412.094)


   

DL-threo-2-methylisocitrate

DL-threo-2-methylisocitrate

C14H20O14 (412.0853)


   

CefathiaMidine Lactone

CefathiaMidine Lactone

C17H24N4O4S2 (412.1239)


   

methyl 3-(4-methylsulfonylphenoxy)-5-phenylmethoxybenzoate

methyl 3-(4-methylsulfonylphenoxy)-5-phenylmethoxybenzoate

C22H20O6S (412.0981)


   

2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol

2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol

C18H18Cl2N2O3S (412.0415)


   

[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate

[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate

C12H11F11O3 (412.0533)


   

Chitobiose

chitobiose dihydrochloride

C12H26Cl2N2O9 (412.1015)


Chitobiose is a dimer of beta-1,4-linked glucosamine units. There is ambiguity as to which structure the name refers, owing to the method by which it was first isolated. [HMDB]

   
   
   

Oregon green 488 carboxylate

Oregon green 488 carboxylate

C21H10F2O7 (412.0395)


   

Dichlorisone

Dichlorisone

C21H26Cl2O4 (412.1208)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid

   

Patamostat

Patamostat

C20H20N4O4S (412.1205)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   

O-Desethyl Candesartan

O-Desethyl Candesartan

C22H16N6O3 (412.1284)


A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan.

   
   

Austocystin D

Austocystin D

C22H20O8 (412.1158)


An organic heteropentacyclic compound isolated from Aspergillus and Aspergillus ustus and has been shown to exhibit cytotoxic activity. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins

   
   

3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C20H20N4O4S (412.1205)


   
   

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide

C20H20N4O4S (412.1205)


   

2-Furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone

2-Furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone

C21H20N2O5S (412.1093)


   

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide

C20H20N4O4S (412.1205)


   

4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C17H24N4O4S2 (412.1239)


   

Butyl 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl carbonate

Butyl 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl carbonate

C20H22Cl2O5 (412.0844)


   

N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

C18H10F6N4O (412.0759)


   

477-49-6

(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone

C22H20O8 (412.1158)


Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].

   

Aklavinon

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1alpha,2beta,4beta)]-

C22H20O8 (412.1158)


   

2,4,18-Trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

2,4,18-Trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

C22H20O8 (412.1158)


   

4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one

4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one

C22H20O8 (412.1158)


   

Aminodeoxyfutalosinate

Aminodeoxyfutalosinate

C19H18N5O6- (412.1257)


   

(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

C21H20N2O7 (412.127)


   
   

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

C16H16N2O9S-2 (412.0576)


   

1-Phosphono-4-[4-propyl-1,1-biphenyl-4-yl]-1-butanesulfonic acid

1-Phosphono-4-[4-propyl-1,1-biphenyl-4-yl]-1-butanesulfonic acid

C19H25O6PS (412.1109)


   

methyl (Z)-2-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate

methyl (Z)-2-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate

C22H21ClN2O4 (412.119)


   

Subereamine A

Subereamine A

C16H21BrN4O4 (412.0746)


A natural product found in Suberea mollis.

   

(E)-N-[N-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide

(E)-N-[N-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide

C19H16N4O3S2 (412.0664)


   

D-xylotriono-1,5-lactone

D-xylotriono-1,5-lactone

C15H24O13 (412.1217)


   

3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxybenzoic acid

3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxybenzoic acid

C13H16O13S (412.0312)


   
   

Cyclic 8-piperidino-3,5-AMP

Cyclic 8-piperidino-3,5-AMP

C15H21N6O6P (412.126)


   

2-ethoxy-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide

2-ethoxy-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide

C20H20N4O4S (412.1205)


   

2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H15F3N2O3 (412.1035)


   

4-[[4-(Benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone

4-[[4-(Benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone

C20H20N4O4S (412.1205)


   

Propanoyl-4-phosphopantetheine

Propanoyl-4-phosphopantetheine

C14H25N2O8PS-2 (412.1069)


   

methyl 8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-8-oxooctanoate

methyl 8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-8-oxooctanoate

C17H21BrN2O5 (412.0634)


   
   

N-(((Cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-2-phenylacetamide

N-(((Cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-2-phenylacetamide

C20H17F5N2O2 (412.121)


   

(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-1,1-dibromo-3,5-dimethyl-1-heptene

(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-1,1-dibromo-3,5-dimethyl-1-heptene

C15H30Br2OSi (412.0433)


   

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

C16H16N2O9S (412.0576)


Dicarboxylate anion of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate acid.

   

Zileuton O-glucuronide

Zileuton O-glucuronide

C17H20N2O8S (412.094)


   
   
   

desmethylanhydrotetracycline zwitterion

desmethylanhydrotetracycline zwitterion

C21H20N2O7 (412.127)


A zwtterion obtained by transfer of a proton from the 2-hydroxy to the secondary amino group of desmethylanhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

desmethylanhydrotetracycline

desmethylanhydrotetracycline

C21H20N2O7 (412.127)


A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.

   
   
   

15-LOX-1 inhibitor 1

15-LOX-1 inhibitor 1

C22H21ClN2O4 (412.119)


15-LOX-1 inhibitor 1 is a potent inhibitor of 15-LOX-1 (15-lipoxygenase-1) with an IC50 value of 0.19 μM. 15-LOX-1 inhibitor 1 protects macrophages from lipopolysaccharide-induced cytotoxicity. 15-LOX-1 inhibitor 1 inhibits NO formation and lipid peroxidation[1].

   

A 839977

A 839977

C19H14Cl2N6O (412.0606)


A 839977 is a P2X7 selective antagonist; it blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20 nM, 42 nM and 150 nM respectively) and reduces inflammatory and neuropathic pain in animal models; the antihyperalgesic effects of P2X7 receptor blockade are mediated by blocking the release of IL-1beta[1].

   

Chitobiose (dihydrochloride)

Chitobiose (dihydrochloride)

C12H26Cl2N2O9 (412.1015)


Chitobiose dihydrochloride, a chitosan oligosaccharide, is a dimer of β-1,4-linked glucosamine units[1].

   

NSC45586 (sodium)

NSC45586 (sodium)

C20H17N6NaO3 (412.126)


NSC45586 sodium is an inhibitor of pleckstrin homology domain and leucine-rich repeat protein phosphatase (PHLPP). NSC45586 sodium targets the PP2C phosphatase domain in PHLPP1 and PHLPP2. NSC45586 sodium can activate AKT in neurons[1].

   

(1r,2r,3s)-3,5-dihydroxy-6-(7-methoxy-3-oxo-1h-2-benzofuran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

(1r,2r,3s)-3,5-dihydroxy-6-(7-methoxy-3-oxo-1h-2-benzofuran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

C22H20O8 (412.1158)


   

5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9ah-cyclopropa[a]phenanthren-9-one

5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9ah-cyclopropa[a]phenanthren-9-one

C20H29BrO4 (412.1249)


   

methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

(11s,15s,16s)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11s,15s,16s)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C22H20O8 (412.1158)


   

4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C22H20O6S (412.0981)


   

(4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one

(4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one

C22H20O8 (412.1158)


   

(11s,15r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11s,15r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C22H20O8 (412.1158)


   

4-[5,6-bis(4-hydroxybenzoyl)pyrazin-2-yl]phenol

4-[5,6-bis(4-hydroxybenzoyl)pyrazin-2-yl]phenol

C24H16N2O5 (412.1059)


   

1,4-dimethyl 2-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)butanedioate

1,4-dimethyl 2-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)butanedioate

C22H20O8 (412.1158)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-2-(hydroxymethyl)but-2-enoate

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-2-(hydroxymethyl)but-2-enoate

C20H25ClO7 (412.1289)


   

(4s,5r,6s)-4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

(4s,5r,6s)-4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C21H16O9 (412.0794)


   

(8r)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

(8r)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

C22H20O8 (412.1158)


   

2-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

2-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

C20H21BrN4O (412.0899)


   

(1s,2r,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2z)-2-methylbut-2-enoate

(1s,2r,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2z)-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

(1r,2s,3r,4s)-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

(1r,2s,3r,4s)-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

C20H16N2O8 (412.0907)


   

(5r,6s)-7-methylidene-8-oxo-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

(5r,6s)-7-methylidene-8-oxo-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

C22H20O8 (412.1158)


   

7-methylidene-8-oxo-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

7-methylidene-8-oxo-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

C22H20O8 (412.1158)


   

(s)-2h-1,3-benzodioxol-5-yl[(3s,4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate

(s)-2h-1,3-benzodioxol-5-yl[(3s,4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate

C22H20O8 (412.1158)


   

3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

C22H20O8 (412.1158)


   

2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-8-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-4-one

2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-8-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-4-one

C22H20O8 (412.1158)


   

methyl 2-{7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene}-2-(3,4-dihydroxyphenyl)acetate

methyl 2-{7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene}-2-(3,4-dihydroxyphenyl)acetate

C20H12O10 (412.043)


   

3,5-dihydroxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acid

3,5-dihydroxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acid

C13H16O13S (412.0312)


   

4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O2S (412.1012)


   

(1as,1bs,3r,3ar,5s,7br,9ar)-5-[(1r)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9ah-cyclopropa[a]phenanthren-9-one

(1as,1bs,3r,3ar,5s,7br,9ar)-5-[(1r)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9ah-cyclopropa[a]phenanthren-9-one

C20H29BrO4 (412.1249)


   

(2s,3s,6r,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

(2s,3s,6r,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O2S (412.1012)


   

(r)-mitorubrinic acid

(r)-mitorubrinic acid

C21H16O9 (412.0794)


   

(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C22H20O6S (412.0981)


   

(11r,15s,16r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11r,15s,16r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C22H20O8 (412.1158)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl]methyl 3,4-dihydroxybenzoate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl]methyl 3,4-dihydroxybenzoate

C18H20O11 (412.1006)


   

(3ar,4r,6r,6as,9s,9as,9br)-6-(chloromethyl)-6,9-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

(3ar,4r,6r,6as,9s,9as,9br)-6-(chloromethyl)-6,9-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

(9s,13s)-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

(9s,13s)-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

C22H20O8 (412.1158)


   

5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl 2-methylbut-2-enoate

5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl 2-methylbut-2-enoate

C22H20O8 (412.1158)


   

6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

1-(4-chloro-1-hydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone

1-(4-chloro-1-hydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone

C19H21ClO8 (412.0925)


   

methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

3,5-dihydroxy-6-(7-methoxy-3-oxo-1h-2-benzofuran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

3,5-dihydroxy-6-(7-methoxy-3-oxo-1h-2-benzofuran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

C22H20O8 (412.1158)


   

(2r)-2-{[3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

(2r)-2-{[3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

C16H21BrN4O4 (412.0746)


   

7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

C22H20O8 (412.1158)


   

16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C22H20O8 (412.1158)


   

3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

C17H20N2O6S2 (412.0763)


   

methyl (1s,2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

(1r,2s,3r,4s,7s,8s,9s)-4-(furan-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecan-3-yl benzoate

(1r,2s,3r,4s,7s,8s,9s)-4-(furan-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecan-3-yl benzoate

C22H20O8 (412.1158)


   

(3ar,4r,6r,6as,7r,9ar,9br)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

(3ar,4r,6r,6as,7r,9ar,9br)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

C20H16N2O8 (412.0907)


   

{2-[4-(acetyloxy)-3-methoxyphenyl]-5-formyl-7-methoxy-1-benzofuran-3-yl}methyl acetate

{2-[4-(acetyloxy)-3-methoxyphenyl]-5-formyl-7-methoxy-1-benzofuran-3-yl}methyl acetate

C22H20O8 (412.1158)


   

(3ar,4r,6r,6as,7s,9ar,9bs)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-4-hydroxy-2-methylbut-2-enoate

(3ar,4r,6r,6as,7s,9ar,9bs)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

methyl (1s,2r)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

1,4-dimethyl (2s,3z)-2-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)butanedioate

1,4-dimethyl (2s,3z)-2-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)butanedioate

C22H20O8 (412.1158)


   

methyl 2-[(3e)-7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene]-2-(3,4-dihydroxyphenyl)acetate

methyl 2-[(3e)-7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene]-2-(3,4-dihydroxyphenyl)acetate

C20H12O10 (412.043)


   

14-(chloromethyl)-14-hydroxy-4,9-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl 2-(hydroxymethyl)but-2-enoate

14-(chloromethyl)-14-hydroxy-4,9-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl 2-(hydroxymethyl)but-2-enoate

C20H25ClO7 (412.1289)


   

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 3,4-dihydroxy-6-methoxy-2-methylbenzoate

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 3,4-dihydroxy-6-methoxy-2-methylbenzoate

C22H20O8 (412.1158)


   

(3s,9r)-13-chloro-14-hydroxy-9,16-dimethoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

(3s,9r)-13-chloro-14-hydroxy-9,16-dimethoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

C20H25ClO7 (412.1289)


   

(1s,2r,4r,6r,7z,9z,11r,14s)-14-(chloromethyl)-14-hydroxy-4,9-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl (2e)-2-(hydroxymethyl)but-2-enoate

(1s,2r,4r,6r,7z,9z,11r,14s)-14-(chloromethyl)-14-hydroxy-4,9-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl (2e)-2-(hydroxymethyl)but-2-enoate

C20H25ClO7 (412.1289)


   

(1r,2r,3s)-3,5-dihydroxy-6-[(1s)-7-methoxy-3-oxo-1h-2-benzofuran-1-yl]-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

(1r,2r,3s)-3,5-dihydroxy-6-[(1s)-7-methoxy-3-oxo-1h-2-benzofuran-1-yl]-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate

C22H20O8 (412.1158)


   

(2s,3s,6s,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

(2s,3s,6s,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O2S (412.1012)


   

3,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}benzoic acid

3,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}benzoic acid

C13H16O13S (412.0312)


   

(2s)-3-{[(4s,8s)-11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl]sulfanyl}-2-hydroxypropanoic acid

(2s)-3-{[(4s,8s)-11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl]sulfanyl}-2-hydroxypropanoic acid

C19H24O8S (412.1192)


   

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

(1r,3s,7r,11r,14r)-3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

(1r,3s,7r,11r,14r)-3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

C17H20N2O6S2 (412.0763)


   

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

C22H20O8 (412.1158)


   

4-[3,7-bis(acetyloxy)-5-hydroxy-4-oxochromen-2-yl]phenyl acetate

4-[3,7-bis(acetyloxy)-5-hydroxy-4-oxochromen-2-yl]phenyl acetate

C21H16O9 (412.0794)


   

(4s,8s)-2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

(4s,8s)-2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one

C22H20O8 (412.1158)


   

(4s,5r,6r)-4,11-dihydroxy-13-methoxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl acetate

(4s,5r,6r)-4,11-dihydroxy-13-methoxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl acetate

C22H20O8 (412.1158)


   

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)but-2-enoate

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)but-2-enoate

C20H25ClO7 (412.1289)


   

methyl (1r,2r,4r)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r,4r)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)isochromen-7-yl 3,4-dihydroxy-6-methoxy-2-methylbenzoate

7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)isochromen-7-yl 3,4-dihydroxy-6-methoxy-2-methylbenzoate

C22H20O8 (412.1158)


   

3-hydroxy-6,8-dimethoxy-7-[(6-methoxy-2-oxochromen-7-yl)oxy]chromen-2-one

3-hydroxy-6,8-dimethoxy-7-[(6-methoxy-2-oxochromen-7-yl)oxy]chromen-2-one

C21H16O9 (412.0794)


   

4-(furan-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecan-3-yl benzoate

4-(furan-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecan-3-yl benzoate

C22H20O8 (412.1158)


   

(11s,15r,16r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11s,15r,16r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C22H20O8 (412.1158)


   

3-bromo-6-[2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

3-bromo-6-[2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

C19H25BrO5 (412.0885)


   

(9r,13r)-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

(9r,13r)-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaene-10,14-dione

C22H20O8 (412.1158)


   

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 4-hydroxy-2,6-dimethoxybenzoate

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 4-hydroxy-2,6-dimethoxybenzoate

C22H20O8 (412.1158)


   

2h-1,3-benzodioxol-5-yl[4-(2h-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate

2h-1,3-benzodioxol-5-yl[4-(2h-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate

C22H20O8 (412.1158)


   

3-bromo-6-[(1s,2s,5r)-2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

3-bromo-6-[(1s,2s,5r)-2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

C19H25BrO5 (412.0885)


   

4-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

4-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

C20H21BrN4O (412.0899)


   

(3s,9s)-13-chloro-14-hydroxy-9,16-dimethoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

(3s,9s)-13-chloro-14-hydroxy-9,16-dimethoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

C20H25ClO7 (412.1289)


   

5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl (2e)-2-methylbut-2-enoate

5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl (2e)-2-methylbut-2-enoate

C22H20O8 (412.1158)


   

methyl 2-[4,5,8-trihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate

methyl 2-[4,5,8-trihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate

C22H20O8 (412.1158)


   

(5e)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

(5e)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

4,11-dihydroxy-13-methoxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl acetate

4,11-dihydroxy-13-methoxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl acetate

C22H20O8 (412.1158)


   

(2r)-2-{[(2e)-3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

(2r)-2-{[(2e)-3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

C16H21BrN4O4 (412.0746)


   

3-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid

3-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid

C21H16O9 (412.0794)


   

(3ar,4r,6r,7r,9br)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

(3ar,4r,6r,7r,9br)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate

C20H25ClO7 (412.1289)


   

{3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl}methyl 3,4-dihydroxybenzoate

{3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl}methyl 3,4-dihydroxybenzoate

C18H20O11 (412.1006)


   

(1s,2r,3r,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl acetate

(1s,2r,3r,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl acetate

C20H16N2O8 (412.0907)


   

3-[(11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid

3-[(11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid

C19H24O8S (412.1192)


   

methyl (1s,2r,4r)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r,4r)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

methyl 2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O8 (412.1158)


   

(5z)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

(5z)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

C22H20O8 (412.1158)


   

4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C21H16O9 (412.0794)


   

(1r,2r,3r,4s)-2-(acetyloxy)-11-(diazyn-1-ium-1-yl)-1,3,4,10-tetrahydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

(1r,2r,3r,4s)-2-(acetyloxy)-11-(diazyn-1-ium-1-yl)-1,3,4,10-tetrahydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

C20H16N2O8 (412.0907)


   

8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid

C22H20O8 (412.1158)


   

5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

C22H20O8 (412.1158)