Exact Mass: 242.055712
Exact Mass Matches: 242.055712
Found 500 metabolites which its exact mass value is equals to given mass value 242.055712,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clofibrate
Clofibrate is only found in individuals that have used or taken this drug. It is a fibric acid derivative used in the treatment of hyperlipoproteinemia type III and severe hypertriglyceridemia (from Martindale, The Extra Pharmacopoeia, 30th ed, p986). Clofibrate increases the activity of extrahepatic lipoprotein lipase (LL), thereby increasing lipoprotein triglyceride lipolysis. Chylomicrons are degraded, VLDLs are converted to LDLs, and LDLs are converted to HDL. This is accompanied by a slight increase in secretion of lipids into the bile and ultimately the intestine. Clofibrate also inhibits the synthesis and increases the clearance of apolipoprotein B, a carrier molecule for VLDL. Also, as a fibrate, clofibrate is an agonist of the PPAR-α receptor[4] in muscle, liver, and other tissues. This agonism ultimately leads to modification in gene expression resulting in increased beta-oxidation, decreased triglyceride secretion, increased HDL, increased lipoprotein lipase activity. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites Clofibrate is an agonist of PPAR, with EC50s of 50 μM, ～500 μM for murine PPARα and PPARγ, and 55 μM, ～500 μM for human PPARα and PPARγ, respectively.
Ethoprophos
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3651
5-phosphonooxy-L-lysine
5-phosphonooxy-l-lysine is a substrate for: Hydroxylysine kinase, and 5-phosphohydroxy-L-lysine phospho-lyase.
Bretylium
Bretylium blocks the release of noradrenaline from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. The primary mode of action for bretylium is thought to be inhibition of voltage-gated K(+) channels. Recent evidence has shown that bretylium may also inhibit the Na,K-ATPase by binding to the extracellular K-site. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Benzoyl peroxide
Benzoyl peroxide is found in cereals and cereal products. Added to bread and cheese as bleaching agent Benzoyl peroxide is an organic compound in the organic peroxide family. It consists of two benzoyl groups joined by a peroxide group. Its structural formula is [C6H5-C(O)]2O2. It is one of the most important organic peroxides in terms of applications and the scale of its production. Benzoyl peroxide is used as an acne treatment, for improving flour, for bleaching hair and teeth, for polymerising polyester and many other uses. In the U. S., the typical concentration for benzoyl peroxide is 2.5\\% to 10\\% for both prescription and over the counter preparations that are used in treatment for acne. Higher concentrations are used for hair bleach and teeth whitening. Benzoyl peroxide, like most peroxides, is a powerful bleaching agent. Contact with fabrics or hair can cause permanent color dampening almost immediately. Even secondary contact can cause bleaching. For example, contact with a towel that has been used to wash off benzoyl peroxide-containing hygiene products.[citation needed D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AE - Peroxides C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D003879 - Dermatologic Agents
Uridine-5-aldehyde
A pyrimidine nucleoside that is uridine in which the 5-hydroxy group has been oxidised to the corresponding aldehyde.
Moracin M
Moracin M is a member of benzofurans. Moracin M is a natural product found in Morus insignis, Morus mesozygia, and other organisms with data available. Moracin M is found in fruits. Moracin M is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin M is found in fruits. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1]. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1].
Elenaic acid
Isolated from olives (Olea europaea) leaves and fruits. Elenaic acid is found in many foods, some of which are herbs and spices, olive, fats and oils, and fruits. Elenaic acid is found in fats and oils. Elenaic acid is isolated from olives (Olea europaea) leaves and fruits.
Genipinic acid
Genipinic acid is found in beverages. Genipinic acid is isolated from the jagua fruit Genipa americana. Isolated from the jagua fruit Genipa americana. Genipinic acid is found in beverages and fruits.
2,4,5,6-Phenanthrenetetrol
2,4,5,6-Phenanthrenetetrol is found in root vegetables. 2,4,5,6-Phenanthrenetetrol is isolated from rhizomes of Dioscorea bulbifera (air potato). Isolated from rhizomes of Dioscorea bulbifera (air potato). 2,4,5,6-Phenanthrenetetrol is found in root vegetables.
2-(4-Hydroxyphenylazo)benzoic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Chloro-4-[(dimethylcarbamoyl)amino]benzoic acid
(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate
Mitozolomide
C7H7ClN6O2 (242.03189920000003)
Furomollugin
Furomollugin is a natural product found in Galium mollugo, Rubia cordifolia, and Rubia oncotricha with data available.
1,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
2,3,4-Trihydroxy-3,5-dimethoxypropiophene
6,24-Trihydroxy-2-phenylbenzofuran
6,24-Trihydroxy-2-phenylbenzofuran is a member of benzofurans. 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran is a natural product found in Hedysarum polybotrys, Lespedeza cyrtobotrya, and Lespedeza homoloba with data available.
2-(4-Hydroxyphenylazo)benzoic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(2S,3S,4S,7S,E)-3,4,7-trihydroxy-7-methyl-2-(prop-1-enyl)-3,4-dihydro-2H-furo[3,4-b]pyran-5(7H)-one|massarilactone D
NSC 127473; U 15965; alpha-DHB; alpha-Dehydrobiotin
4,5-Dihydro-4-hydroxy-5-(9-hydroxy-1,3,5,7-decatetraynyl)-2(3H)-furanone
3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
7-(tetrahydro-4-methylene-2-oxo-3-furanyl)-2h-1-benzopyran-2-one
8-hydroxy-3-methyl-2-oxo-2,3,4a,5,8,8a-hexahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
4-chloro-6-methoxymellein|4-chloro-8-hydroxy-6-methoxy-3-methylisochroman-1-one
1-Methoxy-4-hydroxyxanthon|4-hydroxy-1-methoxy-xanthen-9-one|5-hydroxy-8-methoxyxanthone
(E)-6-[2-(benzo[1,3]dioxol-5-yl)vinyl]pyran-2-one|6-(3,4-Methylenedioxystyryl)-alpha-pyrone
dihydro-4-[4,5-epoxy-1-oxohex-2-enyloxymethyl]-3-hydroxy-2(3H)-furanone
Anthracen-1,2,6,9-tetraol|anthracene-1,2,6,9-tetraol
6-(4-Hydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde
1,2,3,4-Tetrahydro-6-hydroxy-2-methyl-3-methylen-1,4-dioxopyrazino<1,2-a>indol|6-Hydroxy-1,4-dioxo-2-methyl-3-methylen-1,2,3,4-tetrahydro-pyrazino<1,2-a>indol|6-hydroxy-2-methyl-3-methylene-2,3-dihydro-pyrazino[1,2-a]indole-1,4-dione
(Z)-7-methanesulfonyl-trideca-1,7-diene-3,5,9,11-tetrayne|trans-7-Methylsulfonyl-tridecadien-(1.7)-tetrain-(3.5.9.11)
C14H10O2S (242.04014800000002)
3-Hydroxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione
1,3-Dimethoxy-7-methyl-1,3-dihydroisobenzofuran-4,5,6-triol
2,4-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester
3-Ethyl-6-methoxy-2,4,5-trithiaoctane 2-S-oxide
C8H18O2S3 (242.04688880000003)
7-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
C11H11ClO4_1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl
C11H14O6_3,4,7-Trihydroxy-7-methyl-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-one
Bretylium
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
clofibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 2719 Clofibrate is an agonist of PPAR, with EC50s of 50 μM, ～500 μM for murine PPARα and PPARγ, and 55 μM, ～500 μM for human PPARα and PPARγ, respectively.
Moracin M
Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1]. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1].
4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldethyde
bis(trimethylsilyl) hydrogen phosphate
C6H19O4PSi2 (242.05594639999998)
cis-Cyhalothric acid
C9H10ClF3O2 (242.03213860000002)
7-(4-methylphenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[3-(trifluoromethyl)phenyl]-
C11H9F3N2O (242.06669399999998)
5-[(5-chloropyridin-2-yl)amino]-5-oxopentanoic acid
3a-(Trifluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
C11H9F3N2O (242.06669399999998)
(3-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL
C11H9F3N2O (242.06669399999998)
2-AMINO-5-DIMETHYLCARBAMOYL-4-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
Phosphonic acid, benzoyl-, diethyl ester
C11H15O4P (242.07079199999998)
4-CHLORO-10,11-DIHYDRO-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-4-CARBOXYLIC ACID
1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID
C12H12ClFO2 (242.05098139999998)
1-(trifluoromethoxy)-2-(2-(trifluoromethoxy)ethoxy)ethane
10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
C14H10O2S (242.04014800000002)
3-methyl-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione
1-(2-chloro-6-fluorophenyl)cyclopentanecarboxylic acid
C12H12ClFO2 (242.05098139999998)
trimethyl-[2-[3-(trifluoromethyl)phenyl]ethynyl]silane
(Z)-2-Amino-alpha-(methoxyimino)-N-(2-oxoethyl)-4-thiazoleacetamide
5-(3-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
trimethyl-[2-[4-(trifluoromethyl)phenyl]ethynyl]silane
1-(4-FLUORO-PHENYL)-2-METHYL-PROPAN-2-OL
C15H11FO2 (242.07430380000002)
5-HYDROXY-2-METHYLNAPHTHO[1,2-B]FURAN-3-CARBOXYLIC ACID
7-Chloro-5-methyl-2-phenyl-1H-pyrrolo[3,2-b]pyridine
4,4,4-TRIFLUORO-2-(2-METHOXYETHYL)-3-OXOBUTYRIC ACID ETHYL ESTER
2-(TRIFLUOROACETYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
1,3-Cyclopentanedicarboxylicacid, 4,5-dioxo-, 1,3-diethyl ester
methyl 2-fluoro-9H-fluorene-9-carboxylate
C15H11FO2 (242.07430380000002)
methylsulphonal
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Estrogen receptor modulator 1
C14H10O2S (242.04014800000002)
Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
C10H11O5P (242.03440859999998)
1-Benzyl-4-(Chloromethyl)-1H-Pyrazole Hydrochloride
4-(N,N-Dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole
Ethyl 3-cyano-4-oxo-1,4-dihydro-6-quinolinecarboxylate
5-methyl-7-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
DIETHYL(4-FORMYLPHENYL)PHOSPHONATE
C11H15O4P (242.07079199999998)
N-(TERT-BUTYL)-7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-AMINE
C9H11ClN4S (242.03929159999998)
2-(4-chloro-5-methyl-2-propan-2-yl-phenoxy)acetic acid
Lydimycin
C254 - Anti-Infective Agent > C258 - Antibiotic
2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDE
2-phenyl-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
C11H9F3N2O (242.06669399999998)
(3R)-Tetrahydrofuran-3-yl 4-methylbenzenesulfonate
Mitozolomide
C7H7ClN6O2 (242.03189920000003)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
5-METHYL-1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-OL
C11H9F3N2O (242.06669399999998)
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propanamine(SALTDATA: 2HCl)
[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
C11H9F3N2O (242.06669399999998)
6-chloro-2-(2-fluoroethyl)-5-methoxy-indan-1-one
C12H12ClFO2 (242.05098139999998)
(4-fluorophenyl)-(3-phenyloxiran-2-yl)methanone
C15H11FO2 (242.07430380000002)
Ethyl (diethoxyphosphoryl)(fluoro)acetate
C8H16FO5P (242.07193479999998)
Tipiracil
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
PHENYL 2-(TRIMETHYLSILYL)ETHYL SULFONE
C11H18O2SSi (242.07967280000003)
N-[2-(diethylamino)-2-oxoethyl]-N-methylsulfamoyl chloride
(6E)-6-benzylidene-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
3-(2-CHLORO-6-FLUOROBENZYL)PENTANE-2,4-DIONE
C12H12ClFO2 (242.05098139999998)
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
C11H15O4P (242.07079199999998)
1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid
3-[(AMINOCARBONYL)AMINO]-3-(4-CHLOROPHENYL)PROPANOIC ACID
1-(2-isopropylthiazol-4-yl)-N-methylmethanamine dihydrochloride
2-[(2-fluoro-5-methoxyphenyl)methyl]propanedioic acid
C11H11FO5 (242.05904880000003)
4-chloromethyl-6,7-dimethoxy-3H-isobenzofuran-1-one
DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,
C9H10ClF3O2 (242.03213860000002)
(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent C26170 - Protective Agent > C1509 - Neuroprotective Agent
6-(2-methyl-3-imidazo[1,2-a]pyridinyl)-1H-pyrimidine-2-thione
5-(1-Methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
7-Chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
1-Oxo-5,6-dihydro-1H-pyrimido[1,2-a]quinoline-2-carboxylic acid
1,1-Dichloro-4-methyl-1-trimethylsilyl-2-pentanol
C9H20Cl2OSi (242.06604099999998)
9-Amino-2-imino-1-methyl-6,11-dioxa-1,3-diazaspiro[4.6]undecane-4,7,10-trione
3,4,7-trihydroxy-7-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-furo[3,4-b]pyran-5-one
2,3-dihydro-1H-[1,3]thiazino[2,3:3,4][1,2,4]triazino[5,6-b]indole
methyl [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid
[(2S)-2-(2-azaniumylpropanoyloxy)-3-hydroxypropyl] phosphate
C6H13NO7P- (242.04296179999997)
(2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-cyanoethyl]amino]-5-oxopentanoate
4-Hydroxy-5-(2,4,5-trihydroxyphenyl)pentanoic acid
BENZOYL PEROXIDE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AE - Peroxides C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D003879 - Dermatologic Agents
Bretylium
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
erythro-5-phosphonooxy-L-lysine
The 5-phosphonooxy derivative of L-lysine having erythro-stereochemistry.
BPAM344
C10H11FN2O2S (242.05252380000002)
BPAM344 is a kainate receptor (KAR) subunits GluK1b, GluK2a, and GluK3a positive allosteric modulator (PAM)[1].
methyl (1s,4r,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
methyl (1r,4r,7s,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
(3s)-5-chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-2-benzopyran-1-one
(3z)-3-butylidene-7-chloro-6-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
methyl (1s,4r,7s,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
6-hydroxy-5-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyran-2-one
(3r)-5-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
(1s,3s,4s,7r,10s,11s)-3-hydroxy-10-(hydroxymethyl)-10-methoxy-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-8-one
methyl (1r,4ar,7ar)-1,7a-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h-cyclopenta[c]pyran-4-carboxylate
[(3s,4s)-4-hydroxy-5-oxooxolan-3-yl]methyl (2e)-3-[(2r,3s)-3-methyloxiran-2-yl]prop-2-enoate
methyl 4-hydroxy-9h-pyrido[3,4-b]indole-1-carboxylate
methyl (1r,4r,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
5-chloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
methyl (3r,4as,8r,8as)-8-hydroxy-3-methyl-2-oxo-4a,5,8,8a-tetrahydro-3h-1,4-benzodioxine-6-carboxylate
methyl (3s,4ar,8s,8ar)-8-hydroxy-3-methyl-2-oxo-4a,5,8,8a-tetrahydro-3h-1,4-benzodioxine-6-carboxylate
methyl 1-hydroxy-8-methyl-6-oxo-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
(12r,16s)-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1,5,7,9-tetraen-4-one
[(3r,4r,5r)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-yl]methyl (2e)-but-2-enoate
3-(hydroxymethyl)-8-methylnaphtho[2,3-b]furan-4,9-dione
5-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
methyl (1s,4as,8s,8as)-1-hydroxy-8-methyl-6-oxo-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
4,5-methylenedioxy-4'-hydroxy-2-aldehyde-[1,1'-biphenyl]
{"Ingredient_id": "HBIN010043","Ingredient_name": "4,5-methylenedioxy-4'-hydroxy-2-aldehyde-[1,1'-biphenyl]","Alias": "NA","Ingredient_formula": "C14H10O4","Ingredient_Smile": "C1OC2=C(O1)C=C(C(=C2)C=O)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14362","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-7-methoxyxanthone
{"Ingredient_id": "HBIN012412","Ingredient_name": "6-hydroxy-7-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O4","Ingredient_Smile": "COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10462","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Anthocyanins
{"Ingredient_id": "HBIN016280","Ingredient_name": "Anthocyanins","Alias": "NA","Ingredient_formula": "C15H11ClO","Ingredient_Smile": "C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32684","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-10-(hydroxymethyl)-10-methoxy-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-8-one
3-(hydroxymethyl)-5-methylnaphtho[2,3-b]furan-4,9-dione
6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]pyran-2-one
8-chloro-1,1,7-trimethyl-3,4-dihydro-2-benzopyran-3,5-diol
4-hydroxy-5-(9-hydroxydeca-1,3,5,7-tetrayn-1-yl)oxolan-2-one
3,4,7-trihydroxy-7-methyl-2-(prop-1-en-1-yl)-2h,3h,4h-furo[3,4-b]pyran-5-one
methyl 4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
methyl (1s,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
(2s)-2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate
methyl (1s,4s,7s,8s,9r,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
[(3s,4s)-4-hydroxy-5-oxooxolan-3-yl]methyl (2e)-3-[(2s,3r)-3-methyloxiran-2-yl]prop-2-enoate
7-methanesulfonyltrideca-1,7-dien-3,5,9,11-tetrayne
C14H10O2S (242.04014800000002)
(acetyloxy)[(3s,4r)-3-hydroxy-1h,3h,4h,5h,6h-cyclopenta[c]furan-4-yl]acetic acid
(2e)-5-[(3as,4s,6ar)-2-hydroxy-3h,3ah,4h,6h,6ah-thieno[3,4-d]imidazol-4-yl]pent-2-enoic acid
4-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
(2s)-2,3-dihydroxypropyl 2-(2,4-dihydroxyphenyl)acetate
[(2s,3s,4s,5s,6r)-4,5-dihydroxy-2,6-dimethyloxan-3-yl]oxidanesulfonic acid
(3s,4r)-3-hydroxy-4-(hydroxymethyl)-3-[(2e)-3-(3-methyloxiran-2-yl)prop-2-enoyl]oxolan-2-one
6-hydroxy-5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyran-2-one
methyl (4as,8s,8as)-1-hydroxy-8-methyl-6-oxo-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
methyl (1r,4r,7r,8s,9r,11r)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
(4s,5r)-4-hydroxy-5-[(9r)-9-hydroxydeca-1,3,5,7-tetrayn-1-yl]oxolan-2-one
1,3-dihydroxypropan-2-yl 2,4-dihydroxy-6-methylbenzoate
6-(4-hydroxyphenyl)-2h-1,3-benzodioxole-5-carbaldehyde
15-methylidene-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1,5,7,9-tetraen-4-one
(2s,3r,4s,7s)-3,4,7-trihydroxy-7-methyl-2-[(1e)-prop-1-en-1-yl]-2h,3h,4h-furo[3,4-b]pyran-5-one
methyl 1,7a-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h-cyclopenta[c]pyran-4-carboxylate
4-methoxy-5-methyl-6-[(3r)-3-sulfanylbutanoyl]pyran-2-one
methyl (1s,2r,4s,5s,6s,10r)-5,10-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
2-chloro-2-(3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)ethyl acetate
(1r)-2-(acetyloxy)-1-(5-methylthiophen-2-yl)ethyl acetate
2,3,6-trihydroxy-6-(methoxymethyl)spiro[4.4]non-2-ene-1,7-dione
methyl (1s,4s,7r,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
5-[(3as,4s,6ar)-2-hydroxy-3h,3ah,4h,6h,6ah-thieno[3,4-d]imidazol-4-yl]pent-2-enoic acid
methyl (1r,4as,7r,7as)-1,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4s,7s,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
methyl (1s,4s,7r,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
2,3-dihydroxypropyl 2-(2,4-dihydroxyphenyl)acetate
(3r)-7-chloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
4-methoxy-5-methyl-6-(3-sulfanylbutanoyl)pyran-2-one
5-chloro-7,8-dihydroxy-3,7-dimethyl-8h-isochromen-6-one
methyl 6-hydroxy-9h-pyrido[3,4-b]indole-1-carboxylate
methyl (1s,4s,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
(4-hydroxy-5-oxooxolan-3-yl)methyl (2e)-3-(3-methyloxiran-2-yl)prop-2-enoate
methyl 5,10-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
(7e)-7-methanesulfonyltrideca-1,7-dien-3,5,9,11-tetrayne
C14H10O2S (242.04014800000002)