Exact Mass: 354.0368

Exact Mass Matches: 354.0368

Found 262 metabolites which its exact mass value is equals to given mass value 354.0368, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

THIODICARB

N,N-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester

C10H18N4O4S3 (354.049)


CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8163; ORIGINAL_PRECURSOR_SCAN_NO 8160 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8215; ORIGINAL_PRECURSOR_SCAN_NO 8210 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8251; ORIGINAL_PRECURSOR_SCAN_NO 8248 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8269; ORIGINAL_PRECURSOR_SCAN_NO 8264

   

5-Amino-6-(5-phosphoribosylamino)uracil

5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5-phosphate

C9H15N4O9P (354.0577)


   

2-Caffeoylisocitrate

2-Caffeoylisocitrate; (E)-Caffeoylisocitrate

C15H14O10 (354.0587)


   

Win 56291

5-(3-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazolyl)phenoxy)propyl)-3-Methyl Isoxazole

C16H16Cl2N2O3 (354.0538)


   

PHENOL RED

Phenolsulfonphthalein

C19H14O5S (354.0562)


V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CH - Tests for renal function and ureteral injuries D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins D004396 - Coloring Agents Same as: D01200

   

Chlorpromazine hydrochloride

Chlorpromazine hydrochloride

C17H20Cl2N2S (354.0724)


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

   

Cyclovariegatin

5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),4,10,12-pentaene-3,6-dione

C18H10O8 (354.0376)


Cyclovariegatin is found in mushrooms. Cyclovariegatin is isolated from sporophores of Suillus grevillei (larch bolete

   

3,4,5-trihydroxy-6-[(8-hydroxy-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[(8-hydroxy-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid

C15H14O10 (354.0587)


   

2-O-p-Coumaroylhydroxycitric acid

2-hydroxy-1-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)


2-O-p-Coumaroylhydroxycitric acid is found in cereals and cereal products. 2-O-p-Coumaroylhydroxycitric acid is a constituent of Zea mays (sweet corn). Constituent of Zea mays (sweet corn). 2-O-p-Coumaroylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn.

   

Dihydronaringenin-O-sulphate

{4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulphonic acid

C15H14O8S (354.0409)


Dihydronaringenin-O-sulphate is a conjugate of dihydronaringenin and sulphate. Dihydronaringenin, also known as phloretin, is a dihydrochalcone, a type of natural phenols. It can be found in apple tree leaves. (Wikipedia)

   

((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acid

2-{[2-amino-3-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}disulfanyl)-1-hydroxypropylidene]amino}acetic acid

C10H18N4O6S2 (354.0668)


   

2'-Phosphophloretin

{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}phosphonic acid

C15H15O8P (354.0505)


   

Desacetylcephalothin

3-(Hydroxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N2O5S2 (354.0344)


   

Glucose lactate pyruvate

2-oxo-3-[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propanoyl 2-hydroxypropaneperoxoic acid

C12H18O12 (354.0798)


   

Glucose pyruvate lactate

2-Hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propanoyl 2-oxopropaneperoxoic acid

C12H18O12 (354.0798)


   

{3,5-Dichloro-4-[4-Hydroxy-3-(Propan-2-Yl)phenoxy]phenyl}acetic Acid

2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid

C17H16Cl2O4 (354.0426)


   

THIODICARB

[1-(methylsulfanyl)ethylidene]amino N-methyl-N-[(3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl)sulfanyl]carbamate

C10H18N4O4S3 (354.049)


   

uric acid citrate

11-hydroxy-8,13,16-trioxa-1,5,7,14-tetraazatetracyclo[9.4.3.0^{3,7}.0^{4,14}]octadec-3-ene-2,6,9,12,15,17-hexone

C11H6N4O10 (354.0084)


   

XIPAMIDE

4-Chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulphamoylbenzene-1-carboximidic acid

C15H15ClN2O4S (354.0441)


C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics

   

Apiforol sulfate

[(2S)-4,7-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulphonic acid

C15H14O8S (354.0409)


   

Itomanallene B

Itomanallene B

C17H23BrO3 (354.083)


   
   

Didehydrobisdethiobis(methylthio)gliotoxin

Didehydrobisdethiobis(methylthio)gliotoxin

C15H18N2O4S2 (354.0708)


   

Aspertoxin

3-Hydroxy-6,7-dimethoxydifuroxanthone

C19H14O7 (354.0739)


   

cis-Kumausyne

cis-Kumausyne

C17H23BrO3 (354.083)


   

5-Methoxysterigmatocystin

5-Methoxysterigmatocystin

C19H14O7 (354.0739)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

3-Demethoxy-6-desmethyl-5-methoxycandidusin B

3-Demethoxy-6-desmethyl-5-methoxycandidusin B

C19H14O7 (354.0739)


   

Ophiopogonone C

Ophiopogonone C

C19H14O7 (354.0739)


   

Erosenone

6,7-Dihydro-6- (4-hydroxy-6-methoxy-1,3-benzodioxol-5-yl) -5H-furo [ 3,2-g ] [ 1 ] benzopyran-5-one

C19H14O7 (354.0739)


   

6-Methoxysterigmatocystin

6-Methoxysterigmatocystin

C19H14O7 (354.0739)


   

5-Hydroxy-6-methoxy-3,4-methylenedioxyfurano[2,3:7,8]flavanone

5-Hydroxy-6-methoxy-3,4-methylenedioxyfurano [ 2",3":7,8 ] flavanone

C19H14O7 (354.0739)


   
   
   

6-Desmethylcandidusin B

6-Desmethylcandidusin B

C19H14O7 (354.0739)


A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 3,4-dihydroxyphenyl group at position 3, hydroxy groups at positions 1, 7 and 8 and a methoxy group at position 4. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.

   

XIPAMIDE

XIPAMIDE

C15H15ClN2O4S (354.0441)


C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics

   
   

4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-methyl)-3-oxo-butyric acid ethyl ester

4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-methyl)-3-oxo-butyric acid ethyl ester

C12H13F3N2O3S2 (354.032)


   
   
   
   

MEGxm0_000367

MEGxm0_000367

C19H14O7 (354.0739)


   

6:3+6O fatty acyl hexoside

6:3+6O fatty acyl hexoside

C12H18O12 (354.0798)


Annotation level-3

   

6-hydroxy-7-methoxy-3,7-dicoumarinyl ether|7-methyl-edgeworthin|Rutamontine

6-hydroxy-7-methoxy-3,7-dicoumarinyl ether|7-methyl-edgeworthin|Rutamontine

C19H14O7 (354.0739)


   

SCHEMBL12391567

SCHEMBL12391567

C19H14O7 (354.0739)


   

8-O-Methylthiomelin

8-O-Methylthiomelin

C16H12Cl2O5 (354.0062)


   

6-Aldehydo-isoophiopogonone A

6-Aldehydo-isoophiopogonone A

C19H14O7 (354.0739)


   

4-Bromophenacyl ester-Nonanoic acid

4-Bromophenacyl ester-Nonanoic acid

C17H23BrO3 (354.083)


   

7-hydroxy-6-[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-5-yl)oxy]-2H-1-benzopyran-2-one|dimeresculetin

7-hydroxy-6-[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-5-yl)oxy]-2H-1-benzopyran-2-one|dimeresculetin

C18H10O8 (354.0376)


   

6-acetoxy-7-acetyl-1-hydroxy-3-methoxyanthraquinone

6-acetoxy-7-acetyl-1-hydroxy-3-methoxyanthraquinone

C19H14O7 (354.0739)


   

2,5-DICHLORO-1-HYDROXY-3,6-DIMETHOXY-8-METHYL-9H-XANTHEN-9-ONE

2,5-DICHLORO-1-HYDROXY-3,6-DIMETHOXY-8-METHYL-9H-XANTHEN-9-ONE

C16H12Cl2O5 (354.0062)


   

6-Hydroxy-12,15-dihydro-15,17-dioxo-12,12-dimethyl-17H-11,16-dioxa-11H-cyclopenta[a]phenanthrene-7-carboxylic acid methyl ester

6-Hydroxy-12,15-dihydro-15,17-dioxo-12,12-dimethyl-17H-11,16-dioxa-11H-cyclopenta[a]phenanthrene-7-carboxylic acid methyl ester

C19H14O7 (354.0739)


   

caffeylglucaric acid ester

caffeylglucaric acid ester

C15H14O10 (354.0587)


   

Isoeuphorbetin

8-(6,7-dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one

C18H10O8 (354.0376)


   

Aglycone-Leprocybin

Aglycone-Leprocybin

C18H10O8 (354.0376)


   

Demethylscensidin

Demethylscensidin

C16H12Cl2O5 (354.0062)


   

3,4-dehydro-4-deoxydothistromin

3,4-dehydro-4-deoxydothistromin

C18H10O8 (354.0376)


   

(S)-Dermolactone

(S)-Dermolactone

C19H14O7 (354.0739)


   

Xerocomorubin

Xerocomorubin

C18H10O8 (354.0376)


   

2,4-Dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one

2,4-Dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one

C16H12Cl2O5 (354.0062)


   

CHEMBL2261220

CHEMBL2261220

C19H14O7 (354.0739)


   

tetracyclinone

tetracyclinone

C19H14O7 (354.0739)


   

1,3-Dimethyl-2,4-dioxo-6-(methylsulfinyl)-1,2,3,4-tetrahydrothieno[3,2-g]pteridine-7-carboxylic acid

1,3-Dimethyl-2,4-dioxo-6-(methylsulfinyl)-1,2,3,4-tetrahydrothieno[3,2-g]pteridine-7-carboxylic acid

C12H10N4O5S2 (354.0093)


   

1,2-dibromotetradecane

1,2-dibromotetradecane

C14H28Br2 (354.0558)


   

SCHEMBL12391559

SCHEMBL12391559

C19H14O7 (354.0739)


   

cerberic acid A

cerberic acid A

C19H14O7 (354.0739)


   

4-Acetoxyphenazin-1,6-dicarbonsaeuredimethylester

4-Acetoxyphenazin-1,6-dicarbonsaeuredimethylester

C18H14N2O6 (354.0852)


   

7-acetoxy-3-benzo[1,3]dioxol-5-yl-6-methoxy-chromen-4-one|7-acetoxy-6-methoxy-3,4-methylenedioxyisoflavone|7-O-acetylfujikinetin

7-acetoxy-3-benzo[1,3]dioxol-5-yl-6-methoxy-chromen-4-one|7-acetoxy-6-methoxy-3,4-methylenedioxyisoflavone|7-O-acetylfujikinetin

C19H14O7 (354.0739)


   

CHEMBL484027

CHEMBL484027

C19H14O7 (354.0739)


   

Daphnoretin

Daphnoretin

C19H14O7 (354.0739)


   

anadanthoflavone

anadanthoflavone

C19H14O7 (354.0739)


   
   

UNII-KO81N7B0BX

UNII-KO81N7B0BX

C19H14O7 (354.0739)


   

uracil 5-beta-D-fructofuranosyl-1-monophosphate

uracil 5-beta-D-fructofuranosyl-1-monophosphate

C10H15N2O10P (354.0464)


   

2,7-Dichlorolichexanthone

2,7-Dichlorolichexanthone

C16H12Cl2O5 (354.0062)


   

(?)-agelastatin E|8a-O-methylagelastatin A|agelastatin E

(?)-agelastatin E|8a-O-methylagelastatin A|agelastatin E

C13H15BrN4O3 (354.0327)


   

Torreyaflavone

Torreyaflavone

C18H10O8 (354.0376)


   

Euphorbetin

5-(6,7-dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one

C18H10O8 (354.0376)


   

SCHEMBL16226384

SCHEMBL16226384

C19H14O7 (354.0739)


   

6-Aldehydoisoophiopogonone A

3-(Benzo[d][1,3]dioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-4H-chromene-6-carbaldehyde

C19H14O7 (354.0739)


6-Aldehydo-isoophiopogonone A is a natural product found in Ophiopogon japonicus with data available.

   

Phenolsulfonphthalein

Phenolsulfonphthalein

C19H14O5S (354.0562)


   

2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

NCGC00168859-03!2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

C19H14O7 (354.0739)


   

2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

C19H14O7 (354.0739)


   

2,4-Dichlor-3,6-di-O-methylnorlichexanthone

"2,4-Dichlor-3,6-di-O-methylnorlichexanthone"

C16H12Cl2O5 (354.0062)


   

2,5-Dichlorolichexanthone

"2,5-Dichlorolichexanthone"

C16H12Cl2O5 (354.0062)


   

2,4-Dichlorolichexanthone

"2,4-Dichlorolichexanthone"

C16H12Cl2O5 (354.0062)


   

2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid [IIN-based: Match]

NCGC00168859-03!2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid [IIN-based: Match]

C19H14O7 (354.0739)


   

6-methoxy-sterigmatocystin

6-methoxy-sterigmatocystin

C19H14O7 (354.0739)


   

2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid_major

2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid_major

C19H14O7 (354.0739)


   

O-Desacetylcephalothin

O-Desacetylcephalothin

C14H14N2O5S2 (354.0344)


   

Asn-Asn-OH

(S)-5-amino-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)-5-oxopentanoic acid

C13H14N4O8 (354.0812)


   

Cyclovariegatin

5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione

C18H10O8 (354.0376)


   

N-Desmethylketazolam

N-Desmethylketazolam

C19H15ClN2O3 (354.0771)


   

2-O-p-Coumaroylhydroxycitric acid

2-hydroxy-1-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)


   

WS 5995-C

2-(3,5-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid

C19H14O7 (354.0739)


   

4-(1H,1H,2H,2H-PERFLUOROHEXYL)BENZYL ALCOHOL

4-(1H,1H,2H,2H-PERFLUOROHEXYL)BENZYL ALCOHOL

C13H11F9O (354.0666)


   

3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid

3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid

C19H14O7 (354.0739)


   

Methyl 8-bromo-4,5,6-trimethoxy-2-naphthoate

Methyl 8-bromo-4,5,6-trimethoxy-2-naphthoate

C15H15BrO5 (354.0103)


   

Methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methyl-2-naphthoate

Methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methyl-2-naphthoate

C15H15BrO5 (354.0103)


   

Tosufloxacin pharmaceutical intermediate

Tosufloxacin pharmaceutical intermediate

C15H6ClF3N2O3 (354.0019)


   

2-[[4-(2-Pyridylsulfamoyl)phenyl]azo]hydroxybenzene

2-[[4-(2-Pyridylsulfamoyl)phenyl]azo]hydroxybenzene

C17H14N4O3S (354.0787)


   

n-bsmoc-l-asparagine

n-bsmoc-l-asparagine

C14H14N2O7S (354.0522)


   

n,n-ethylenebis(5-hydroxysalicylideneiminato)iron(ii)

n,n-ethylenebis(5-hydroxysalicylideneiminato)iron(ii)

C16H14FeN2O4 (354.0303)


   

4-AMINO-1-(4-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTERDI HYDROCHLORIDE

4-AMINO-1-(4-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTERDI HYDROCHLORIDE

C14H21Cl3N2O2 (354.0669)


   

5,5-Dithiobis(1-phenyl-1H-tetrazole)

5,5-Dithiobis(1-phenyl-1H-tetrazole)

C14H10N8S2 (354.047)


   

2-(6-bromohexyl)-5-nitroisoindole-1,3-dione

2-(6-bromohexyl)-5-nitroisoindole-1,3-dione

C14H15BrN2O4 (354.0215)


   

6-bromo-2-naphthyl-beta-d-xylopyranoside

6-bromo-2-naphthyl-beta-d-xylopyranoside

C15H15BrO5 (354.0103)


   

3,4-Dihydro-2-(3-methoxypropyl)-4-oxo-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide

3,4-Dihydro-2-(3-methoxypropyl)-4-oxo-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide

C10H14N2O6S3 (354.0014)


   

N1,N1-DIETHYL-5-CHLORO-2-(4-CHLOROPHENOXY)-4-NITROANILINE

N1,N1-DIETHYL-5-CHLORO-2-(4-CHLOROPHENOXY)-4-NITROANILINE

C16H16Cl2N2O3 (354.0538)


   

1,14-dibromotetradecane

1,14-dibromotetradecane

C14H28Br2 (354.0558)


   

6-chloro-3-indolyl phosphate p-toluidine salt

6-chloro-3-indolyl phosphate p-toluidine salt

C15H16ClN2O4P (354.0536)


   

2-benzoyloxy-5-(2,4-difluorophenyl)benzoic acid

2-benzoyloxy-5-(2,4-difluorophenyl)benzoic acid

C20H12F2O4 (354.0704)


   

DIETHYL 4-IODOBENZYLPHOSPHONATE

DIETHYL 4-IODOBENZYLPHOSPHONATE

C11H16IO3P (353.9882)


   

5-Bromo-2-Chloro-N-[2-(Ethylamino)-3-Pyridinyl]-3-Pyridinecarboxamide

5-Bromo-2-Chloro-N-[2-(Ethylamino)-3-Pyridinyl]-3-Pyridinecarboxamide

C13H12BrClN4O (353.9883)


   

Pazufloxacin hydrochloride

Pazufloxacin hydrochloride

C16H16ClFN2O4 (354.0783)


   

5,5,6,6,7,7,8,8,9,9,9-undecafluorononane-2,4-dione

5,5,6,6,7,7,8,8,9,9,9-undecafluorononane-2,4-dione

C9H5F11O2 (354.0114)


   

Enisamium iodide

1-Methyl-4-[[(phenylmethyl)amino]carbonyl]pyridinium iodide

C14H15IN2O (354.0229)


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sulprofos sulfone

sulprofos sulfone

C12H19O4PS3 (354.0183)


   

Desloratadine Impurity B

Desloratadine Impurity B

C19H19BrN2 (354.0732)


   

2-iodotriphenylene

2-iodotriphenylene

C18H11I (353.9905)


   

Bis(acetylacetonato)barium n-hydrate

Bis(acetylacetonato)barium n-hydrate

C10H16BaO5 (354.005)


   

Amberlyst A 26

Amberlyst A 26

C19H14O5S (354.0562)


   

3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamide

3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamide

C8H14N6O4S3 (354.0239)


   

Diphenylethyne-3,3,5,5-tetracarboxylic acid

Diphenylethyne-3,3,5,5-tetracarboxylic acid

C18H10O8 (354.0376)


   

IMp. B (EP) as Dihydrochloride: N-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-N,N,N-triMethyl- propane-1,3-diaMine Dihydrochloride

IMp. B (EP) as Dihydrochloride: N-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-N,N,N-triMethyl- propane-1,3-diaMine Dihydrochloride

C17H20Cl2N2S (354.0724)


   

2,3,6-Tris-O-(carboxymethyl)-D-glucose

2,3,6-Tris-O-(carboxymethyl)-D-glucose

C12H18O12 (354.0798)


   
   

2,4,5-T BUTOXYETHYL ESTER

2,4,5-T BUTOXYETHYL ESTER

C14H17Cl3O4 (354.0192)


   

tris(cyclopentadienyl)terbium

tris(cyclopentadienyl)terbium

C15H15Tb (354.0427)


   

1,6-Divinylperfluorohexane

1,6-Divinylperfluorohexane

C10H6F12 (354.0278)


   

Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate dihydrochloride

Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate dihydrochloride

C14H21Cl3N2O2 (354.0669)


   
   

Cys-Gly, oxidized

2-((R)-2-Amino-3-(((R)-2-amino-3-((carboxymethyl)amino)-3-oxopropyl)disulfanyl)propanamido)acetic acid

C10H18N4O6S2 (354.0668)


   

2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate

2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate

C11H9F7O3S (354.0161)


   

N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-chloro-pyridyl]-thiourea

N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-chloro-pyridyl]-thiourea

C15H16ClFN4OS (354.0717)


   

2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

C19H14O7 (354.0739)


   

3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide

3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide

C14H15BrN2O4 (354.0215)


   

Silane, 1,3,5-benzenetriyltris[chlorodimethyl-

Silane, 1,3,5-benzenetriyltris[chlorodimethyl-

C12H21Cl3Si3 (354.0017)


   

4-(2-Chlorophenyl)-8-(2-Hydroxyethyl)-6-Methylpyrrolo[3,4-E]indole-1,3(2h,6h)-Dione

4-(2-Chlorophenyl)-8-(2-Hydroxyethyl)-6-Methylpyrrolo[3,4-E]indole-1,3(2h,6h)-Dione

C19H15ClN2O3 (354.0771)


   

2-[Carboxy-(2-thiophen-2-YL-acetylamino)-methyl]-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid

2-[Carboxy-(2-thiophen-2-YL-acetylamino)-methyl]-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid

C14H14N2O5S2 (354.0344)


   

Thymidine-5-(dithio)phosphate

Thymidine-5-(dithio)phosphate

C10H15N2O6PS2 (354.0109)


   

3-hydroxy-2-(1,2,2-trihydroxyethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

3-hydroxy-2-(1,2,2-trihydroxyethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

C12H18O12 (354.0798)


   

[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C9H15N4O9P (354.0577)


   

3,4,5-Trihydroxy-6-(8-hydroxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(8-hydroxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

C15H14O10 (354.0587)


   

Sterigmatocystin, 5 OR 7 methoxy-

Sterigmatocystin, 5 OR 7 methoxy-

C19H14O7 (354.0739)


   

5-Amino-6-(5-phosphoribitylamino)uracil(2-)

5-Amino-6-(5-phosphoribitylamino)uracil(2-)

C9H15N4O9P-2 (354.0577)


   

2-Caffeoylisocitric acid

2-Caffeoylisocitric acid

C15H14O10 (354.0587)


   

N-8-mercaptooctanoylthreonine phosphate

N-8-mercaptooctanoylthreonine phosphate

C12H21NO7PS-3 (354.0776)


   

(4S,8R)-2,20-dihydroxy-7,9,13-trioxapentacyclo[10.9.0.03,10.04,8.015,20]henicosa-1,3(10),5,11,15,17-hexaene-14,19,21-trione

(4S,8R)-2,20-dihydroxy-7,9,13-trioxapentacyclo[10.9.0.03,10.04,8.015,20]henicosa-1,3(10),5,11,15,17-hexaene-14,19,21-trione

C18H10O8 (354.0376)


   

3,7,8,10-Tetrahydroxy-1-methylbenzo[b]xanthene-6,11,12-trione

3,7,8,10-Tetrahydroxy-1-methylbenzo[b]xanthene-6,11,12-trione

C18H10O8 (354.0376)


   

2-Hydroxypropanoyl 2-oxo-3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate

2-Hydroxypropanoyl 2-oxo-3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate

C12H18O12 (354.0798)


   

2-Oxopropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate

2-Oxopropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate

C12H18O12 (354.0798)


   

Apiforol sulfate

Apiforol sulfate

C15H14O8S (354.0409)


   

2-(2,4-dichlorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

C15H12Cl2N2O4 (354.0174)


   

4-methyl-N-[(1Z)-3-oxo-3-thien-2-yl-1-(trifluoromethyl)propylidene]benzohydrazide

4-methyl-N-[(1Z)-3-oxo-3-thien-2-yl-1-(trifluoromethyl)propylidene]benzohydrazide

C16H13F3N2O2S (354.065)


   

3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide

3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide

C18H14N2O4S (354.0674)


   

4-bromo-N-[(E)-quinoxalin-6-ylmethylidene]benzohydrazide

4-bromo-N-[(E)-quinoxalin-6-ylmethylidene]benzohydrazide

C16H11BrN4O (354.0116)


   

1-(3-Chlorophenyl)-3-(2-phenoxyphenyl)thiourea

1-(3-Chlorophenyl)-3-(2-phenoxyphenyl)thiourea

C19H15ClN2OS (354.0594)


   

1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C17H14N4OS2 (354.0609)


   

2-bromo-N-[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]benzamide

2-bromo-N-[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]benzamide

C15H19BrN2OS (354.0401)


   

3-[[(2,4-Dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid

3-[[(2,4-Dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid

C15H12Cl2N2O2S (353.9997)


   

N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide

N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide

C14H18N4O3S2 (354.082)


   

3-(2,3-Dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2,3-Dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H11FN4O2S (354.0587)


   

1-amino-2-(4-bromophenyl)-4,5-dihydro-3aH-pyrrolo[1,2-a]quinolin-3-one

1-amino-2-(4-bromophenyl)-4,5-dihydro-3aH-pyrrolo[1,2-a]quinolin-3-one

C18H15BrN2O (354.0368)


   

L-cystine-bis-glycine

L-cystine-bis-glycine

C10H18N4O6S2 (354.0668)


   

3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydron;chloride

3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydron;chloride

C17H20Cl2N2S (354.0724)


   

2-[(E)-2-(3-bromophenyl)ethenyl]-8-nitroquinoline

2-[(E)-2-(3-bromophenyl)ethenyl]-8-nitroquinoline

C17H11BrN2O2 (354.0004)


   

Ethyl 2-[3-cyano-4-(uran-2-yl)-6-thiophen-2-ylpyridin-2-yl]oxyacetate

Ethyl 2-[3-cyano-4-(uran-2-yl)-6-thiophen-2-ylpyridin-2-yl]oxyacetate

C18H14N2O4S (354.0674)


   

11-hydroxy-O-methylsterigmatocystin

11-hydroxy-O-methylsterigmatocystin

C19H14O7 (354.0739)


A sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of the parent sterigmatocystin.

   

2,2-{Disulfanediylbis[(2-azaniumyl-1-oxopropane-3,1-diyl)azanediyl]}diacetate

2,2-{Disulfanediylbis[(2-azaniumyl-1-oxopropane-3,1-diyl)azanediyl]}diacetate

C10H18N4O6S2 (354.0668)


   

Caffeoylisocitric acid

Caffeoylisocitric acid

C15H14O10 (354.0587)


   

(1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid

(1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)


   

2-(3-Methoxybenzyl)-5-[5-(2-thienyl)-2-thienyl]-1,3,4-oxadiazole

2-(3-Methoxybenzyl)-5-[5-(2-thienyl)-2-thienyl]-1,3,4-oxadiazole

C18H14N2O2S2 (354.0497)


   

(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(chloromethyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(chloromethyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

C11H17ClN3O6S- (354.0527)


   

1-(5-O-Phosphono-beta-D-ribofuranosyl)-5-amino-1H-imidazole-4-carbothioamide

1-(5-O-Phosphono-beta-D-ribofuranosyl)-5-amino-1H-imidazole-4-carbothioamide

C9H15N4O7PS (354.0399)


   

(1R,5S)-3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one

(1R,5S)-3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one

C16H15ClO5S (354.0329)


   

[3-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

[3-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

C15H14O8S (354.0409)


   

CID 131835171

CID 131835171

C19H14O7 (354.0739)


   

{4-[1-Oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenyl}oxidanesulfonic acid

{4-[1-Oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenyl}oxidanesulfonic acid

C15H14O8S (354.0409)


   

[4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

[4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

C15H14O8S (354.0409)


   

(2-benzyl-2,4,6-trihydroxy-3H-1-benzouran-3-yl) hydrogen sulate

(2-benzyl-2,4,6-trihydroxy-3H-1-benzouran-3-yl) hydrogen sulate

C15H14O8S (354.0409)


   

3-[2-Chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one

3-[2-Chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one

C16H15ClO5S (354.0329)


   

2-(heptafluoropropyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(heptafluoropropyl)-6-(trifluoromethyl)-1H-benzimidazole

C11H4F10N2 (354.0215)


   

1,1,2-Tris(phenylthio)etane

1,1,2-Tris(phenylthio)etane

C20H18S3 (354.0571)


   

5-amino-6-(5-phospho-beta-D-ribosylamino)uracil

5-amino-6-(5-phospho-beta-D-ribosylamino)uracil

C9H15N4O9P (354.0577)


An N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-beta-D-ribosyl residue.

   

5-(3-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazolyl)phenoxy)propyl)-3-Methyl Isoxazole

5-(3-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazolyl)phenoxy)propyl)-3-Methyl Isoxazole

C16H16Cl2N2O3 (354.0538)


   

Dihydronaringenin-O-sulphate

Dihydronaringenin-O-sulphate

C15H14O8S (354.0409)


   

2,4-dichlorolichexanthone

2,4-dichlorolichexanthone

C16H12Cl2O5 (354.0062)


A member of the class of xanthones that is 9H-xanthen-9-one substituted by a hydroxy group at positions 1, chloro groups at positions 2 and 4, methoxy groups at positions 3 and 6 and a methyl group at position 8.

   

S-(chloromethyl)glutathione(1-)

S-(chloromethyl)glutathione(1-)

C11H17ClN3O6S (354.0527)


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-(chloromethyl)glutathione; major species at pH 7.3.

   

5-Amino-6-(5-phosphoribitylamino)uracil(2-)

5-Amino-6-(5-phosphoribitylamino)uracil(2-)

C9H15N4O9P (354.0577)


Dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups.

   

5-BDBD

5-BDBD

C17H11BrN2O2 (354.0004)


5-BDBD, a potent and selective P2X4 receptor antagonist, inhibits rP2X4R-mediated currents, with an IC50 of 0.75 μM. 5-BDBD completely blocks the basal and acute hyperalgesia induced by nitroglycerin (NTG)[1][2].

   

15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

C19H14O7 (354.0739)


   

3-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-4,5,6-trihydroxyoxane-2-carboxylic acid

3-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-4,5,6-trihydroxyoxane-2-carboxylic acid

C12H18O12 (354.0798)


   

1-(7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl)hex-3-en-5-yn-1-yl acetate

1-(7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl)hex-3-en-5-yn-1-yl acetate

C17H23BrO3 (354.083)


   

(12r)-12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

(12r)-12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C19H14O7 (354.0739)


   

1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)


   

3-acetyl-5-hydroxy-7-methoxy-9,10-dioxoanthracen-2-yl acetate

3-acetyl-5-hydroxy-7-methoxy-9,10-dioxoanthracen-2-yl acetate

C19H14O7 (354.0739)


   

(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

(16s,17s,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

(16s,17s,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

C18H14N2O6 (354.0852)


   

3,11-dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1h-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid,9ci; me ester

NA

C19H14O7 (354.0739)


{"Ingredient_id": "HBIN006896","Ingredient_name": "3,11-dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1h-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid,9ci; me ester","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8469","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-aldehydoisoophiopogone a

6-aldehydo-isoophiopogone a

C19H14O7 (354.0739)


{"Ingredient_id": "HBIN012178","Ingredient_name": "6-aldehydoisoophiopogone a","Alias": "6-aldehydo-isoophiopogone a","Ingredient_formula": "C19H14O7","Ingredient_Smile": "CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O","Ingredient_weight": "354.315","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "875","TCMSP_id": "NA","TCM_ID_id": "7584","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-aldehydo-isoophipogonone a

NA

C19H14O7 (354.0739)


{"Ingredient_id": "HBIN012180","Ingredient_name": "6-aldehydo-isoophipogonone a","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7,8-dihydroxycoumarin-7-o-β-d-glucuronide

NA

C15H14O10 (354.0587)


{"Ingredient_id": "HBIN012984","Ingredient_name": "7,8-dihydroxycoumarin-7-o-\u03b2-d-glucuronide","Alias": "NA","Ingredient_formula": "C15H14O10","Ingredient_Smile": "C1=CC(=C(C2=C1C=CC(=O)O2)O)OC3C(C(C(C(O3)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

anadanthoflavone

NA

C19H14O7 (354.0739)


{"Ingredient_id": "HBIN015971","Ingredient_name": "anadanthoflavone","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "COC(=O)C=CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1131","TCMSP_id": "NA","TCM_ID_id": "10065;10066;10067;10068","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3r)-10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

(3r)-10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

C19H14O7 (354.0739)


   

(3r,7s)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

(3r,7s)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

C19H14O7 (354.0739)


   

(1r)-2-chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-4h-benzo[c]chromen-6-one

(1r)-2-chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-4h-benzo[c]chromen-6-one

C16H15ClO7 (354.0506)


   

5-(1-bromohex-3-en-1-yl)-2-(pent-2-en-4-yn-1-yl)oxolan-3-yl acetate

5-(1-bromohex-3-en-1-yl)-2-(pent-2-en-4-yn-1-yl)oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

3-bromo-12-hydroxy-14-methoxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one

3-bromo-12-hydroxy-14-methoxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one

C13H15BrN4O3 (354.0327)


   

2-chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-4h-benzo[c]chromen-6-one

2-chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-4h-benzo[c]chromen-6-one

C16H15ClO7 (354.0506)


   

(2r,3r,5r)-5-[(1r,3e)-1-bromohex-3-en-1-yl]-2-[(2e)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

(2r,3r,5r)-5-[(1r,3e)-1-bromohex-3-en-1-yl]-2-[(2e)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

{2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid

{2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl}methoxyphosphonic acid

C10H15N2O10P (354.0464)


   

(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2e)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2e)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

(4r,8r)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione

(4r,8r)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione

C18H10O8 (354.0376)


   

(12s)-12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

(12s)-12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C19H14O7 (354.0739)


   

(s)-[(2r,3r,4r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-5-oxooxolan-2-yl](hydroxy)acetic acid

(s)-[(2r,3r,4r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-5-oxooxolan-2-yl](hydroxy)acetic acid

C15H14O10 (354.0587)


   

(2r,3r)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

(2r,3r)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

(1r,3e)-1-[(2r,4z,7s,8r)-7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl]hex-3-en-5-yn-1-yl acetate

(1r,3e)-1-[(2r,4z,7s,8r)-7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl]hex-3-en-5-yn-1-yl acetate

C17H23BrO3 (354.083)


   

5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

4-[6-(3,4-dihydroxyphenyl)-2,5-dihydroxyfuro[3,2-b]furan-3-yl]cyclohexa-3,5-diene-1,2-dione

4-[6-(3,4-dihydroxyphenyl)-2,5-dihydroxyfuro[3,2-b]furan-3-yl]cyclohexa-3,5-diene-1,2-dione

C18H10O8 (354.0376)


   

2-ethenyl-5-[(6-hydroxy-7-methoxy-2-oxochromen-3-yl)oxy]phenyl formate

2-ethenyl-5-[(6-hydroxy-7-methoxy-2-oxochromen-3-yl)oxy]phenyl formate

C19H14O7 (354.0739)


   

(3r,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-10h-pyrazino[1,2-a]indole-1,4-dione

(3r,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-10h-pyrazino[1,2-a]indole-1,4-dione

C15H18N2O4S2 (354.0708)


   

3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde

3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde

C19H14O7 (354.0739)


   

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(8-hydroxy-2-oxochromen-7-yl)oxy]oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(8-hydroxy-2-oxochromen-7-yl)oxy]oxane-2-carboxylic acid

C15H14O10 (354.0587)


   

[(2r,3s,4s,5r)-2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]methoxyphosphonic acid

[(2r,3s,4s,5r)-2,3,4-trihydroxy-5-[(4-hydroxy-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]methoxyphosphonic acid

C10H15N2O10P (354.0464)


   

1,3,6,8,10,11-hexahydroxytetracene-5,12-dione

1,3,6,8,10,11-hexahydroxytetracene-5,12-dione

C18H10O8 (354.0376)


   

1,6-dimethyl 4-(acetyloxy)phenazine-1,6-dicarboxylate

1,6-dimethyl 4-(acetyloxy)phenazine-1,6-dicarboxylate

C18H14N2O6 (354.0852)


   

n-[1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-[(hydroxymethylidene)amino]naphthalen-2-yl]carboximidic acid

n-[1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-[(hydroxymethylidene)amino]naphthalen-2-yl]carboximidic acid

C18H14N2O6 (354.0852)


   

12-hydroxy-7-(hydroxymethyl)-15-methyl-6,17-dioxapentacyclo[13.2.2.0²,¹⁴.0³,¹¹.0⁵,⁹]nonadeca-2(14),3(11),5(9),7,12-pentaene-4,10,16-trione

12-hydroxy-7-(hydroxymethyl)-15-methyl-6,17-dioxapentacyclo[13.2.2.0²,¹⁴.0³,¹¹.0⁵,⁹]nonadeca-2(14),3(11),5(9),7,12-pentaene-4,10,16-trione

C19H14O7 (354.0739)


   

(1r,2s)-1-{[(2z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

(1r,2s)-1-{[(2z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)


   

(3r,7r)-3-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

(3r,7r)-3-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

C19H14O7 (354.0739)


   

7-{[(4ar,8ar)-7-hydroxy-6-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl]oxy}chromen-2-one

7-{[(4ar,8ar)-7-hydroxy-6-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl]oxy}chromen-2-one

C19H14O7 (354.0739)


   

8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

C18H14N2O6 (354.0852)


   

7-[(7-hydroxy-6-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl)oxy]chromen-2-one

7-[(7-hydroxy-6-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl)oxy]chromen-2-one

C19H14O7 (354.0739)


   

(3s)-10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

(3s)-10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

C19H14O7 (354.0739)


   

6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-10h-pyrazino[1,2-a]indole-1,4-dione

6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-10h-pyrazino[1,2-a]indole-1,4-dione

C15H18N2O4S2 (354.0708)


   

5-(3,4-dihydroxyphenyl)-4-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-3,11,12-triol

5-(3,4-dihydroxyphenyl)-4-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-3,11,12-triol

C19H14O7 (354.0739)


   

(2r,3r,5s)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

(2r,3r,5s)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

(1s,11s)-1,11-disulfanyl-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione

(1s,11s)-1,11-disulfanyl-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione

C18H14N2O2S2 (354.0497)


   

(1r,9r,10s,14s)-3-bromo-12-hydroxy-14-methoxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one

(1r,9r,10s,14s)-3-bromo-12-hydroxy-14-methoxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one

C13H15BrN4O3 (354.0327)


   

6,7-dihydroxy-5-[(7-hydroxy-2-oxochromen-6-yl)oxy]chromen-2-one

6,7-dihydroxy-5-[(7-hydroxy-2-oxochromen-6-yl)oxy]chromen-2-one

C18H10O8 (354.0376)


   

1-[7-(1-bromopropyl)-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate

1-[7-(1-bromopropyl)-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate

C17H23BrO3 (354.083)


   

(3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-5-oxooxolan-2-yl)(hydroxy)acetic acid

(3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-5-oxooxolan-2-yl)(hydroxy)acetic acid

C15H14O10 (354.0587)


   

3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde

3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde

C19H14O7 (354.0739)


   

(16s,17r,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

(16s,17r,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one

C18H14N2O6 (354.0852)


   

3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione

3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione

C12H18O12 (354.0798)


   

6'-desmethylcandidusin b

6'-desmethylcandidusin b

C19H14O7 (354.0739)


   

11-hydroxy-7,9-dimethoxy-3-methyl-3h-anthra[2,3-c]furan-1,5,10-trione

11-hydroxy-7,9-dimethoxy-3-methyl-3h-anthra[2,3-c]furan-1,5,10-trione

C19H14O7 (354.0739)


   

10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

10,12-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-oxatetracene-1,6,11-trione

C19H14O7 (354.0739)


   

(2s,3r,5r)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

(2s,3r,5r)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2z,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate

methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate

C19H14O7 (354.0739)


   

(1s,3z)-1-[(2s,7r)-7-[(1s)-1-bromopropyl]-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate

(1s,3z)-1-[(2s,7r)-7-[(1s)-1-bromopropyl]-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate

C17H23BrO3 (354.083)


   

[(2s,3s,4r,5r)-5-[(5-amino-2,6-dihydroxypyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

[(2s,3s,4r,5r)-5-[(5-amino-2,6-dihydroxypyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

C9H15N4O9P (354.0577)


   

12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C19H14O7 (354.0739)


   

(3s,7r)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

(3s,7r)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

C19H14O7 (354.0739)


   

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

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

C19H14O7 (354.0739)


   

5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione

5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione

C18H10O8 (354.0376)


   

2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione

2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione

C18H10O8 (354.0376)


   

(2r,3s,5s)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2e,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

(2r,3s,5s)-5-(3-bromopropa-1,2-dien-1-yl)-2-[(2e,5e)-octa-2,5-dien-1-yl]oxolan-3-yl acetate

C17H23BrO3 (354.083)


   

(1r,2s)-1-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

(1r,2s)-1-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

C15H14O10 (354.0587)