Exact Mass: 338.109
Exact Mass Matches: 338.109
Found 427 metabolites which its exact mass value is equals to given mass value 338.109,
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
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.
Wighteone
A natural product found in Ficus mucuso. Wighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. It has a role as a plant metabolite and an antifungal agent. It is functionally related to an isoflavone. Wighteone is a natural product found in Genista ephedroides, Erythrina suberosa, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1]. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1].
Demethoxycurcumin
[Raw Data] CBA69_Demethoxycurcum_neg_50eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_40eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_20eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_40eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_30eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_30eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_20eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_50eV.txt Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Glyceollin I
Glyceollin I is found in pulses. Phytoalexin from soybean seedlings.
Glepidotin A
A trihydroxyflavone that is galangin substituted by a prenyl group at position 8.
Glyceollin II
Phytoalexin from Glycine max (soybean). Glyceollin II is found in soy bean, fats and oils, and pulses. Glyceollin II is found in fats and oils. Phytoalexin from Glycine max (soybean).
Glyceollin III
Phytoalexin from Glycine max (soybean). Glyceollin III is found in soy bean, fats and oils, and pulses. Glyceollin III is found in fats and oils. Phytoalexin from Glycine max (soybean).
4-Methylumbelliferyl-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Demethoxycurcumin
Demethoxycurcumin is a beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. It has a role as a metabolite, an antineoplastic agent and an anti-inflammatory agent. It is a polyphenol, a beta-diketone, an enone and a diarylheptanoid. Demethoxycurcumin is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). Demethoxycurcumin is found in many foods, some of which are beverages, herbs and spices, turmeric, and root vegetables. Demethoxycurcumin is found in beverages. Demethoxycurcumin is isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Lupiwighteone
Lupiwighteone is a member of isoflavones. Lupiwighteone is a natural product found in Anthyllis hermanniae, Erythrina sigmoidea, and other organisms with data available. Isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean). Lupiwighteone is found in herbs and spices, pulses, and adzuki bean. Lupiwighteone is found in adzuki bean. Lupiwighteone is isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean).
3'-(gamma,gamma-Dimethylallyl)genistein
Isowighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone. Isowighteone is a natural product found in Sophora tomentosa, Erythrina addisoniae, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea. 3-(gamma,gamma-Dimethylallyl)genistein is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea and pulses.
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
Methuyl tanshinonate
Constituent of Salvia sclarea (Clary sage). Methuyl tanshinonate is found in tea, alcoholic beverages, and herbs and spices. Methuyl tanshinonate is found in alcoholic beverages. Methuyl tanshinonate is a constituent of Salvia sclarea (Clary sage).
6alpha-Hydroxyphaseollin
Phytoalexin from soybeans (Glycine max) infected by Phytophthora species 6alpha-Hydroxyphaseollin is found in many foods, some of which are green bean, soy bean, pulses, and common bean. 6alpha-Hydroxyphaseollin is found in common bean. Phytoalexin from soybeans (Glycine max) infected by Phytophthora sp
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.
Licoagroaurone
Licoagroaurone is found in herbs and spices. Licoagroaurone is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroaurone is found in tea and herbs and spices.
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
Tilmacoxib
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.
Tuberosin
Tuberosin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Tuberosin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tuberosin can be found in potato, which makes tuberosin a potential biomarker for the consumption of this food product.
Coumaroylquinic acid (p-)
0DQ85982ZY
Licoflavone C is a natural product found in Genista ephedroides, Artocarpus altilis, and other organisms with data available. See also: Glycyrrhiza inflata root (part of).
Citflavanone
Broussoaurone A
5,7,4-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone
5-Deoxyglyasperin F
A hydroxyisoflavanone that is 2,3-dihydro-2H,4H-3,8-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and geminal methyl groups at position 2. Isolated from the roots of Erythrina lysistemon, it exhibits anti-HIV activity.
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
6-Prenylapigenin
6-Prenylapigenin is a natural product found in Ficus glumosa, Maclura cochinchinensis, and other organisms with data available.
Yinyanghuo D
3,4,2-Trihydroxy-6,6-dimethylpyrano[2,3:4,3]chalcone
Methyl tanshinonate
(2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a (1E)-3-oxobut-1-en-1-yl group at position 8. Isolated from Tephrosia toxicaria, it exhibits anti-cancerous activity.
curcumin II
Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Crotalarin
D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins
Glyinflanin B
3,4,2-Trihydroxy-6',6'-dimethylpyrano [ 2',3':4,3 ] chalcone
Glyceollin III
A benzofuropyranochromene that is 1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene substituted at positions 6a and 9 by hydroxy groups and at position 2 by a prop-1-en-2-yl group.
Terphenyllin
A para-terphenyl that is 1,1:4,1-terphenyl substituted by methoxy groups at positions 3 and 6 and hydroxy groups at positions 2, 4 and 4. It has been isolated from Aspergillus taichungensis.
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,4,6-heptatrien-3-one|demethoxycurcumin
3-<-2-<(2H-1,3-Benzodioxol-5-yl)methyl>-7-methoxy-5-benzofuranyl>-2-propen-1-ol|3-{-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-methoxy-5-benzofuranyl}-2-propen-1-ol
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
An organic heterotricyclic compound that is 5,6-methylenedioxybenzofuran substituted by a 2,4-dihydroxy-5-prenylphenyl moiety at position 2. Isolated from the roots of Sophora flavescens, it exhibits cytotoxic activity against the KB epidermoid carcinoma cell line.
(Z)-6,7-dihydroxy-2-(6-hydroxy-4-methyl-3-pentenyl)anthraquinone|anthrasesamone F
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.
abyssinone A
A chromenol that is 2,2-dimethyl-2H-chromen-8-ol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl group at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
2-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-3,7,11,12-tetrone
(2S)-2,4-dihydroxy-2,2-dimethylpyrano-(7,8:6,5)flavanone|artotonin A
3-(2,4-Dihydroxy-5-prenylphenyl)-7-hydroxy-4H-1-benzopyran-4-one
4-dehydro-3-hydroxyterphenyllin
A para-terphenyl that is the 4-dehydro derivative of 3-hydroxyterphenyllin. It has been isolated from Aspergillus taichungensis.
decurrenside D|methyl 7-{(benzoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
5,7-dihydroxy-8-(2-methyl-butyryl)-4-phenyl-chromen-2-one|5,7-Dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one|5,7-dihydroxy-8-(2-methylbutyryl)-4-phenylcoumarin
(4S)-3,4-dihydro-5-hydroxy-4-{[(1R)-1,2,3,4-tetrahydro-5-hydroxy-4-oxonaphthalen-1-yl]oxy}naphthalen-1(2H)-one|juglanone A
3-(2,4-Dihydroxyphenyl)-6-(1,1-dimethylallyl)-7-hydroxy-2H-1-benzopyran-2-one
2-Phenyl-3,5-dihydroxy-7-(prenyloxy)-4H-1-benzopyran-4-one
(-)-(2S)-7,8-(2,3,3-trimethyl-2,3-dihydrofuran)galangin
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
Isodispar B
Isodispar B is a natural product found in Euphorbia tithymaloides with data available.
O-beta-D-Glucopyranoside-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one
4,4-Dimethoxypulvinon-O-methylaether|4-methoxy-3-(4-methoxyphenyl)-5-<(4-methoxyphenyl)methylene>furan-2(5H)-one|O-Methyl-4,4-dimethoxypulvinon
5,4-dihydroxy-4,4,5-trimethyl-4,5-dihydrofurano[2,3:7,8]isoflavone|flemiphilippinin F
5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxy-3-methyl-2H-1-benzopyran-2-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
2-(4-Hydroxyphenyl)-5-hydroxy-7,8-dihydro-8,8-dimethyl-4H,6H-benzo[1,2-b:5,4-b]dipyran-4-one
3-(4-Hydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-3-butenyl)-4H-1-benzopyran-4-one
(8R,12aS)-8-(furan-3-yl)-5,6,11,12-tetrahydro-7-methyl-3H-furo[3,4:4,5]cyclohepta[1,2-d][2]benzofuran-3,10(8H)-dione|dugesin A
7-Demethoxylegonol Acetate
An acetate ester of 7-demethoxylegonol that has been isolated from the fruits of Styrax agrestis.
1,2,4-Trihydroxy-3-(4-methylpent-3-en-1-yl)anthracene-9,10-dione
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
2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol
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
Hydroxyphaseolin
alpha-Hydrojuglone-4-glucoside
Licoagroaurone
Tilmacoxib
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
4-Methylumbelliferyl α-L-Idopyranoside
Benzenesulfonamide,4-methyl-N-[4-(phenylamino)phenyl]-
3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-1,3,8-trimethyl-6-phenyl-
1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-α-D-glucofuranose
2,5-diethoxy-4-morpholin-4-ylaniline,dihydrochloride
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
trimetazidine dihydrochloride
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
7-Quinolinol, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-
CAFFEINE and SODIUM BENZOATE
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion
tert-Butyl 4-chloro-2-morpholino-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
(1R,13R)-7,7-Dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol
2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
2,3-Dihydro-5,7-dihydroxy-2,2-dimethyl-3,6-bi(4H-1-benzopyran)-4-one
[(4R)-4-(3-Hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-YL](phenyl)methanone
(1Z,6S)-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxo-N-[(1S)-1-phosphonoethyl]heptanimidate
Demethoxycurcumin
Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxononanoate
6-(3-Chloroanilino)-9-cyclopentyl-2-purinecarbonitrile
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
N-methyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine
(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
Glyceollin II
A benzofuropyranochromene that is 3H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene substituted at positions 7a and 10 by hydroxy groups and at position 3 by a gem-dimethyl group.
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
methyl (6s)-1,6-dimethyl-10,11-dioxo-7h,8h,9h-phenanthro[1,2-b]furan-6-carboxylate
14-hydroxy-4-methoxy-14-methyl-19,20-dioxahexacyclo[8.8.1.1²,⁹.0¹,¹⁰.0³,⁸.0¹¹,¹⁶]icosa-3(8),4,6,11(16),17-pentaen-12-one
8-(2h-1,3-benzodioxol-5-yl)-6,7-dimethyl-2h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-one
(1s,6r,13s)-6-(prop-1-en-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,8,14,16,18-hexaene-13,17-diol
(1s,12r,13s,16r,18s)-5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0¹,¹⁰.0³,⁸.0¹²,¹⁶]octadeca-3,5,7,10-tetraene-18-carbaldehyde
15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,13,14-triol
(1s,4r,5s,8r,9s)-5-hydroxy-2',4',11-trioxaspiro[tricyclo[6.2.1.0⁴,⁹]undecane-10,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-3-one
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-4-one
4-(4-hydroxyphenyl)-2,6-dimethoxy-[1,1'-biphenyl]-3,4'-diol
1,4-dimethyl 2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate
5-hydroxy-2',4',11-trioxaspiro[tricyclo[6.2.1.0⁴,⁹]undecane-10,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-3-one
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
1,8-dihydroxy-3-methyl-6-[(3-methylbut-3-en-1-yl)oxy]anthracene-9,10-dione
(11s,12s)-11-(2h-1,3-benzodioxol-5-yl)-12-methyl-8-(prop-2-en-1-yl)-3,5,10-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-triene
(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-3-one
methyl (1s,3r,5r,7r,8s)-7-[(benzoyloxy)methyl]-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
(4r,4as,5r,8s,8as)-4a,5,8,8a-tetrahydro-4h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-4,5,8-triol
(6s)-6-[(2r)-5-oxooxolan-2-yl]-2',4'-dioxaspiro[cyclohexane-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
(1s,8's)-4',5,8'-trihydroxy-2,3,7',8'-tetrahydro-1h,6'h-[1,1'-binaphthalene]-4,5'-dione
(2s)-5-hydroxy-7-methoxy-8-[(1e)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxynaphthalene-2-carbaldehyde
2',4',11-trioxaspiro[tricyclo[6.2.1.0⁴,⁹]undecane-10,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',6,7',9',11'-hexaene-3,5-diol
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"}
