Exact Mass: 338.1002
Exact Mass Matches: 338.1002
Found 106 metabolites which its exact mass value is equals to given mass value 338.1002,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
5-p-Coumaroylquinic acid
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
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.
4-Methylumbelliferyl-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
3-O-p-Coumaroylquinic acid
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
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
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-p-Coumaroylquinic acid
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-)
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid is found in apple. 3-O-p-Coumaroylquinic acid is found in cider apples, tea, cacao etc
p-Coumaroylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid.
decurrenside D|methyl 7-{(benzoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
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
O-beta-D-Glucopyranoside-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one
(2S)-2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxotetrahydrofuran-2-yl]ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|bombalin
Coumaroylquinic acid
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
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
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl
C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Coumaroyl quinic acid (isomer of 758, 760)
Annotation level-3
Coumaroyl quinic acid (isomer of 758, 759)
Annotation level-3
Coumaroyl quinic acid (isomer of 759, 760)
Annotation level-2
7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 9CI, O-beta-D-Glucopyranoside
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]
(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_major
o-coumaroylquinic acid
alpha-Hydrojuglone-4-glucoside
4-Methylumbelliferyl α-L-Idopyranoside
7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
4-methylumbelliferyl α-D-galactoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid
(3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
trans-4-p-coumaroylquinic acid
A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration.
5-p-coumaroylquinic acid
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
1,4-dimethyl 2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate
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
methyl (1s,3r,5r,7r,8s)-7-[(benzoyloxy)methyl]-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
1,2,4-trihydroxynaphthalene-4-glucoside
{"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
{"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
{"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
{"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"}
