Exact Mass: 338.1033

Exact Mass Matches: 338.1033

Found 144 metabolites which its exact mass value is equals to given mass value 338.1033, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

5-p-Coumaroylquinic acid

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


5-p-coumaroylquinic acid, also known as trans-5-O-(4-coumaroyl)-D-quinate or P-coumaroyl quinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-p-coumaroylquinic acid can be found in a number of food items such as wild leek, brussel sprouts, ucuhuba, and lemon grass, which makes 5-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.

   

4-O-p-Coumaroylquinic acid

(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


4-o-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-o-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-p-coumaroylquinic acid can be found in loquat, which makes 4-o-p-coumaroylquinic acid a potential biomarker for the consumption of this food product.

   

ACMC-20n6pm

1-Caffeoyl-4-deoxyquinic acid

C16H18O8 (338.1002)


   

4-Methylumbelliferyl-galactopyranoside

4-Methylumbelliferyl-galactopyranoside

C16H18O8 (338.1002)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

3-O-p-Coumaroylquinic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


3-O-p-Coumaroylquinic acid is found in apple. 3-O-p-Coumaroylquinic acid is found in cider apples, tea, cacao etc

   

alpha-Hydrojuglone 4-O-b-D-glucoside

2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


alpha-Hydrojuglone 4-O-b-D-glucoside is found in black walnut. alpha-Hydrojuglone 4-O-b-D-glucoside is isolated from Juglans specie Isolated from Juglans subspecies alpha-Hydrojuglone 4-O-b-D-glucoside is found in black walnut, common walnut, and nuts.

   

Hydrojuglone glucoside

2-[(5,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


Hydrojuglone glucoside is found in common walnut. Hydrojuglone glucoside is a constituent of the leaves of Carya illinoensis (pecan). Constituent of the leaves of Carya illinoensis (pecan). Hydrojuglone glucoside is found in common walnut and nuts.

   

7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

4-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

C16H18O8 (338.1002)


   

Tilmacoxib

5-Ethoxymethyl-7-fluoro-3-oxo-1,2,3,5-tetrahydrobenzo(4,5)imidazo(1,2a)pyridine-4-N-(2-fluorophenyl)carboxamide

C16H19FN2O3S (338.11)


   

4-p-Coumaroylquinic acid

(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


4-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-p-coumaroylquinic acid can be found in a number of food items such as pear, apricot, gooseberry, and sweet cherry, which makes 4-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.

   

Coumaroylquinic acid (p-)

(1S,3S,4S,5S)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

Gerberinside

4-Hydroxy-5-methylcoumarin 4-O-beta-D-glucopyranoside

C16H18O8 (338.1002)


   
   

3-O-p-Coumaroylquinic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


3-O-p-Coumaroylquinic acid is found in apple. 3-O-p-Coumaroylquinic acid is found in cider apples, tea, cacao etc

   

cis-4-O-Coumaroylquinic acid

cis-4-O-p-coumaroylquinic acid

C16H18O8 (338.1002)


   

5-p-cis-Coumaroylquinic acid

cis-5-O-p-Coumaroylquinic acid

C16H18O8 (338.1002)


   

4-Methylumbelliferyl-α-D-glucopyranoside

4-Methylumbelliferyl-α-D-glucopyranoside

C16H18O8 (338.1002)


   

O-p-Cumarylchinasaure

O-p-Cumarylchinasaure

C16H18O8 (338.1002)


   

SCHEMBL22568828

SCHEMBL22568828

C16H18O8 (338.1002)


   

dimethyl 2-O-feruloylmalate

dimethyl 2-O-feruloylmalate

C16H18O8 (338.1002)


   
   

p-Coumaroylquinic acid

4-O-p-Coumaroylquinic acid

C16H18O8 (338.1002)


A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid.

   

p-Cumarocylchiniasaeure

p-Cumarocylchiniasaeure

C16H18O8 (338.1002)


   

Antibiotic A 38533|Antibiotic A 38533A1

Antibiotic A 38533|Antibiotic A 38533A1

C15H18N2O5S (338.0936)


   

2-hydroxyluisol A

2-hydroxyluisol A

C16H18O8 (338.1002)


   

decurrenside D|methyl 7-{(benzoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate

decurrenside D|methyl 7-{(benzoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate

C16H18O8 (338.1002)


   

O1-((1R)-trans-2-hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronic acid|O1-((1R)-trans-2-Hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronsaeure

O1-((1R)-trans-2-hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronic acid|O1-((1R)-trans-2-Hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronsaeure

C16H18O8 (338.1002)


   

O-beta-D-Glucopyranoside-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one

O-beta-D-Glucopyranoside-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one

C16H18O8 (338.1002)


   

4-beta-D-glucopyranosyloxy-5-methylcoumarin

4-beta-D-glucopyranosyloxy-5-methylcoumarin

C16H18O8 (338.1002)


   

Neochlorgensaeure

Neochlorgensaeure

C16H18O8 (338.1002)


   

Chlorogenic Acid

Chlorogenic Acid

C16H18O8 (338.1002)


   

(2S)-2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxotetrahydrofuran-2-yl]ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|bombalin

(2S)-2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxotetrahydrofuran-2-yl]ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|bombalin

C16H18O8 (338.1002)


   
   

9-O-methylfusarubin

9-O-methylfusarubin

C16H18O8 (338.1002)


   

Coumaroylquinic acid

CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-((3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (1S-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.BETA.(E)))-

C16H18O8 (338.1002)


5-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (-)-quinic acid and a 4-coumaric acid. trans-5-O-(4-coumaroyl)-D-quinic acid is a natural product found in Lonicera japonica, Kunzea ambigua, and other organisms with data available. The 5-O-(4-coumaroyl) derivative of (-)-quinic acid.

   

3-p-coumaroylquinic acid

3-p-coumaroylquinic acid

C16H18O8 (338.1002)


A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid.

   

5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

NCGC00380241-01!5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C16H18O8 (338.1002)


   

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

Coumaroylquinic acid

Coumaroylquinic acid

C16H18O8 (338.1002)


   

5-p-Coumaroylquinic acids

5-p-Coumaroylquinic acids

C16H18O8 (338.1002)


   

5-Coumaroylquinic acid

5-Coumaroylquinic acid

C16H18O8 (338.1002)


   

3-O-Coumaroylquinic acid

3-O-Coumaroylquinic acid

C16H18O8 (338.1002)


   

5-Coumaroyl quinic acid

5-Coumaroyl quinic acid

C16H18O8 (338.1002)


   

C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl

NCGC00385147-01_C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl

C16H18O8 (338.1002)


   

C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid

NCGC00380946-01_C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid

C16H18O8 (338.1002)


   

C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)

NCGC00384821-01_C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-

C16H18O8 (338.1002)


   

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

Coumaroyl quinic acid (isomer of 758, 760)

Coumaroyl quinic acid (isomer of 758, 760)

C16H18O8 (338.1002)


Annotation level-3

   

Coumaroyl quinic acid (isomer of 758, 759)

Coumaroyl quinic acid (isomer of 758, 759)

C16H18O8 (338.1002)


Annotation level-3

   

Coumaroyl quinic acid (isomer of 759, 760)

Coumaroyl quinic acid (isomer of 759, 760)

C16H18O8 (338.1002)


Annotation level-2

   

7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 9CI, O-beta-D-Glucopyranoside

7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 9CI, O-beta-D-Glucopyranoside

C16H18O8 (338.1002)


Origin: Plant, Coumarins

   

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid [IIN-based: Match]

NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid [IIN-based: Match]

C16H18O8 (338.1002)


   

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_85.5\\%

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_85.5\\%

C16H18O8 (338.1002)


   

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major

C16H18O8 (338.1002)


   

o-coumaroylquinic acid

1,4,5-Trihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid, 9ci

C16H18O8 (338.1002)


   

alpha-Hydrojuglone-4-glucoside

2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


   

Hydrojuglone glucoside

2-[(5,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


   

Tilmacoxib

Tilmacoxib

C16H19FN2O3S (338.11)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor

   
   
   

4,4-Dimethoxytrityl chloride

4,4-Dimethoxytrityl chloride

C21H19ClO2 (338.1074)


   

4-Methylumbelliferyl α-L-Idopyranoside

7-(alpha-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

C16H18O8 (338.1002)


   

4-amino-1-(4-fluoro-benzyl)-piperidine-4-carboxylic acid methyl ester dihydrochloride

4-amino-1-(4-fluoro-benzyl)-piperidine-4-carboxylic acid methyl ester dihydrochloride

C14H21Cl2FN2O2 (338.0964)


   

N-(tert-Butoxycarbonyl)-5-chloro-L-tryptophan

N-(tert-Butoxycarbonyl)-5-chloro-L-tryptophan

C16H19ClN2O4 (338.1033)


   

4-METHYLUMBELLIFERYL BETA-D-MANNOPYRANOSIDE

4-METHYLUMBELLIFERYL BETA-D-MANNOPYRANOSIDE

C16H18O8 (338.1002)


   

Benzenesulfonamide,4-methyl-N-[4-(phenylamino)phenyl]-

Benzenesulfonamide,4-methyl-N-[4-(phenylamino)phenyl]-

C19H18N2O2S (338.1089)


   

3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C16H19ClN2O4 (338.1033)


   

Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-1,3,8-trimethyl-6-phenyl-

Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-1,3,8-trimethyl-6-phenyl-

C16H14N6O3 (338.1127)


   

1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-α-D-glucofuranose

1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-α-D-glucofuranose

C13H22O8S (338.1035)


   

N-(3-CHLORO-4-ISOQUINOLINYL)-2-(CYCLOPROPYLAMINO)-3-PYRIDINECARBOXAMIDE

N-(3-CHLORO-4-ISOQUINOLINYL)-2-(CYCLOPROPYLAMINO)-3-PYRIDINECARBOXAMIDE

C18H15ClN4O (338.0934)


   

Allyl(triphenyl)phosphonium chloride

Allyl(triphenyl)phosphonium chloride

C21H20ClP (338.0991)


   

Potassium diphenylbis(pyrazol-1-yl)borate

Potassium diphenylbis(pyrazol-1-yl)borate

C18H16BKN4 (338.1105)


   

1,4-BIPIPERIDINE-1-CARBOXIMIDAMIDE HYDROIODIDE

1,4-BIPIPERIDINE-1-CARBOXIMIDAMIDE HYDROIODIDE

C11H23IN4 (338.0967)


   

Tributyl(methylsulfanyl)stannane

Tributyl(methylsulfanyl)stannane

C13H30SSn (338.109)


   

7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

C16H18O8 (338.1002)


   

4-Methylumbelliferyl glucoside

4-methylumbelliferyl β-D-glucoside

C16H18O8 (338.1002)


   

L-N-Boc-6-chlorotryptophan

L-N-Boc-6-chlorotryptophan

C16H19ClN2O4 (338.1033)


   

4-methylumbelliferyl α-D-galactoside

4-Methylumbelliferyl-alpha-D-galactopyranoside

C16H18O8 (338.1002)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

1-(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-YLAMINE

1-(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-YLAMINE

C14H18ClF3N2O2 (338.1009)


   

2-[4-(1-Methylethyl)phenyl]-6-phenyl-4H-thiopyran-4-one 1,1-dioxide

2-[4-(1-Methylethyl)phenyl]-6-phenyl-4H-thiopyran-4-one 1,1-dioxide

C20H18O3S (338.0977)


   

4-CYCLOHEXYLPIPERAZINE-1-CARBOXIMIDAMIDE HYDROIODIDE

4-CYCLOHEXYLPIPERAZINE-1-CARBOXIMIDAMIDE HYDROIODIDE

C11H23IN4 (338.0967)


   

Benzene,4-(chloromethyl)-1,2-bis(phenylmethoxy)-

Benzene,4-(chloromethyl)-1,2-bis(phenylmethoxy)-

C21H19ClO2 (338.1074)


   

7-Quinolinol, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-

7-Quinolinol, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-

C19H15FN2O3 (338.1067)


   

CAFFEINE and SODIUM BENZOATE

CAFFEINE and SODIUM BENZOATE

C15H15N4NaO4 (338.0991)


V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion

   
   

2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one

2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one

C17H14N4O4 (338.1015)


   

2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H18N2O2S (338.1089)


   

[(4R)-4-(3-Hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-YL](phenyl)methanone

[(4R)-4-(3-Hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-YL](phenyl)methanone

C19H18N2O2S (338.1089)


   

(1Z,6S)-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxo-N-[(1S)-1-phosphonoethyl]heptanimidate

(1Z,6S)-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxo-N-[(1S)-1-phosphonoethyl]heptanimidate

C11H21N3O7P- (338.1117)


   
   

(2-Oxo-3-phosphonooxypropyl) 3-oxodecanoate

(2-Oxo-3-phosphonooxypropyl) 3-oxodecanoate

C13H23O8P (338.113)


   

(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxononanoate

(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxononanoate

C13H23O8P (338.113)


   

Coumaroylquinic acid (p-)

Coumaroylquinic acid (p-)

C16H18O8 (338.1002)


   

6-(3-Chloroanilino)-9-cyclopentyl-2-purinecarbonitrile

6-(3-Chloroanilino)-9-cyclopentyl-2-purinecarbonitrile

C17H15ClN6 (338.1047)


   

2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

C17H14N4O4 (338.1015)


   

1-Caffeoyl-4-deoxyquinic acid

1-Caffeoyl-4-deoxyquinic acid

C16H18O8 (338.1002)


   

N-methyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine

N-methyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine

C17H17F3N2S (338.1064)


   

alpha-Hydrojuglone 4-glucoside

alpha-Hydrojuglone 4-glucoside

C16H18O8 (338.1002)


   

(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid

(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

(3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

(3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

alpha-Hydrojuglone 4-O-b-D-glucoside

alpha-Hydrojuglone 4-O-b-D-glucoside

C16H18O8 (338.1002)


   

trans-4-p-coumaroylquinic acid

trans-4-p-coumaroylquinic acid

C16H18O8 (338.1002)


A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration.

   

5-p-coumaroylquinic acid

5-p-coumaroylquinic acid

C16H18O8 (338.1002)


A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid.

   
   

(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

1,4-dimethyl 2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate

1,4-dimethyl 2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate

C16H18O8 (338.1002)


   

3-[(2r,4s,6r)-10-hydroxy-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl]propanoic acid

3-[(2r,4s,6r)-10-hydroxy-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl]propanoic acid

C16H18O8 (338.1002)


   

methyl (1s,3r,5r,7r,8s)-7-[(benzoyloxy)methyl]-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate

methyl (1s,3r,5r,7r,8s)-7-[(benzoyloxy)methyl]-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate

C16H18O8 (338.1002)


   

1,2,4-trihydroxynaphthalene-4-glucoside

NA

C16H18O8 (338.1002)


{"Ingredient_id": "HBIN000665","Ingredient_name": "1,2,4-trihydroxynaphthalene-4-glucoside","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CC(=C2O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21795","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-p-cis-coumaroylquinicacid

NA

C16H18O8 (338.1002)


{"Ingredient_id": "HBIN011873","Ingredient_name": "5-p-cis-coumaroylquinicacid","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "338.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14783","TCMID_id": "4182","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "90478782","DrugBank_id": "NA"}

   

5-p-trans-coumaroylquinicacid

NA

C16H18O8 (338.1002)


{"Ingredient_id": "HBIN011891","Ingredient_name": "5-p-trans-coumaroylquinicacid","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14784","TCMID_id": "4183","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

alpha-hydrojuglone glucoside

α-hydrojuglone glucoside

C16H18O8 (338.1002)


{"Ingredient_id": "HBIN015552","Ingredient_name": "alpha-hydrojuglone glucoside","Alias": "\u03b1-hydrojuglone glucoside","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31136;9720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


   

5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

C16H18O8 (338.1002)


   

5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

C16H18O8 (338.1002)


   

1,4-dimethyl 2-hydroxy-2-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate

1,4-dimethyl 2-hydroxy-2-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate

C16H18O8 (338.1002)


   

5-methyl-4-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one

5-methyl-4-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one

C16H18O8 (338.1002)


   

5-methyl-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}chromen-2-one

5-methyl-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}chromen-2-one

C16H18O8 (338.1002)


   

(z)-5-p-coumaroylquinic acid

(z)-5-p-coumaroylquinic acid

C16H18O8 (338.1002)


   

(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione

3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione

C16H18O8 (338.1002)


   

(11r)-11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium

(11r)-11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium

[C19H16NO5]+ (338.1028)


   

5-methyl-4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one

5-methyl-4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one

C16H18O8 (338.1002)


   

3-{10-hydroxy-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl}propanoic acid

3-{10-hydroxy-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl}propanoic acid

C16H18O8 (338.1002)


   

(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

methyl (1r,2r,6r,10r,11r,13s)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate

methyl (1r,2r,6r,10r,11r,13s)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate

C16H18O8 (338.1002)


   

(z)-3-p-coumaroylquinic acid

(z)-3-p-coumaroylquinic acid

C16H18O8 (338.1002)


   

11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium

11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium

[C19H16NO5]+ (338.1028)


   

1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate

1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate

C16H18O8 (338.1002)


   

(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

methyl (1r,2r,6r,10r,11r)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate

methyl (1r,2r,6r,10r,11r)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate

C16H18O8 (338.1002)


   

(1s,2r,3s,4ar,9as)-1,2,3,8,9a-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a-tetrahydroanthracene-9,10-dione

(1s,2r,3s,4ar,9as)-1,2,3,8,9a-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a-tetrahydroanthracene-9,10-dione

C16H18O8 (338.1002)


   

(2r,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H18O8 (338.1002)


   

(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

5-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

5-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

C16H18O8 (338.1002)


   

(1s,9s,10s,12s,13r,14s)-4,9,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-2-one

(1s,9s,10s,12s,13r,14s)-4,9,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-2-one

C16H18O8 (338.1002)


   

1,4-dimethyl (2r)-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate

1,4-dimethyl (2r)-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate

C16H18O8 (338.1002)


   

1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C16H18O8 (338.1002)


   

(3r,4as,10as)-3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione

(3r,4as,10as)-3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione

C16H18O8 (338.1002)


   

(6z)-3-benzyl-3-(methylsulfanyl)-6-(phenylmethylidene)pyrazine-2,5-diol

(6z)-3-benzyl-3-(methylsulfanyl)-6-(phenylmethylidene)pyrazine-2,5-diol

C19H18N2O2S (338.1089)