Exact Mass: 298.031683
Exact Mass Matches: 298.031683
Found 340 metabolites which its exact mass value is equals to given mass value 298.031683,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ekalux
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Phoxim
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Magnesium salicylate
Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain. It is also used to treat headaches, general back pain, and certain joint pains like arthritis. It is found in a variety of over-the-counter (OTC) medications as an anti-inflammatory, primarily for back-pain relief. Magnesium Salicylate can be an effective OTC alternative to prescription NSAIDs, with both anti-inflamatory and pain-relieving effects. Though the recommended doseage is 1160 mg every six hours, per package directions of the Doans OTC brand (580 mg magnesium salicylate tetrahydrate, equivalent to 934.4 mg anhydrous magnesium salicylate), effective pain relief is often found with a half dosage, with reduced anti-inflammatory results. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
Bowdichione
A hydroxyisoflavone with a quinone structure in ring B. Isolated from Dalbergia parviflora, it exhibits antineoplastic and anti-inflammatory activities.
Irilone
Irilone is found in herbs and spices. Irilone is a constituent of Trifolium pratense (red clover). Constituent of Trifolium pratense (red clover). Irilone is found in tea and herbs and spices.
2-Hydroxypseudobaptigenin
A pseudobaptigenin that is pseudobaptigenin substituted by a hydroxy groups at position 2.
Aflatoxin P1
Aflatoxin P1 is a metabolite of Aflatoxin B. It can be found in Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
5-hydroxypseudobaptigenin
A member of the class of 7-hydroxyisoflavones that is pseudobaptigenin substituted by hydroxy group at position 5.
Sativol
Sativol is found in alfalfa. Sativol is a constituent of alfalfa (Medicago sativa).
Benzoyl glucuronide (Benzoic acid)
Benzoyl glucuronide (Benzoic acid) is a natural human metabolite of Benzoic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Benzoyl glucuronide (Benzoic acid) is a natural human metabolite of Benzoic acid generated in the liver by UDP glucuonyltransferase.
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is found in saffron. 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is found in saffron.
4,5-dihydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
Isotrifoliol
Isotrifoliol is found in herbs and spices. Isotrifoliol is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Isotrifoliol is found in herbs and spices.
Trifoliol
Isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta) and Trifolium repens (white clover). Trifoliol is found in many foods, some of which are tea, herbs and spices, green vegetables, and alfalfa. Trifoliol is found in alfalfa. Trifoliol is isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta) and Trifolium repens (white clover).
Glyzaglabrin
Glyzaglabrin is found in herbs and spices. Glyzaglabrin is isolated from root of Glycyrrhiza glabra (licorice). Isolated from root of Glycyrrhiza glabra (licorice). Glyzaglabrin is found in tea and herbs and spices.
3,8-Dihydroxy-9-methoxycoumestan
3,8-Dihydroxy-9-methoxycoumestan is found in pulses. 3,8-Dihydroxy-9-methoxycoumestan is isolated from alfalfa (Medicago sativa
N-Acetylserotonin sulfate
C12H14N2O5S (298.06233940000004)
N-Acetylserotonin sulfate is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Sulforaphane-cysteine
6-Methylthioinosine
C11H14N4O4S (298.07357240000005)
Ethyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoate
zaltoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Irisone B
Irisone b, also known as 2,5-dihydroxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, irisone b is considered to be a flavonoid lipid molecule. Irisone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Irisone b can be found in common beet, which makes irisone b a potential biomarker for the consumption of this food product.
Nicotinamide ascorbate
It is used as a food additive
3'-deamino-3'-oxonicotianamine
3-deamino-3-oxonicotianamine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 3-deamino-3-oxonicotianamine can be found in a number of food items such as daikon radish, nutmeg, greenthread tea, and small-leaf linden, which makes 3-deamino-3-oxonicotianamine a potential biomarker for the consumption of these food products.
Sitostanol-beta
4-[2-[(1-Carboxy-2-hydroxyethyl)imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
4,5-Dihydroxy-7-methoxy-5,2-oxido-4-phenylcoumarin
Irilone
A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4.
2-O-caffeoylthreonic acid|E-2-(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)-3,4-dihydroxybutanoic acid
9,10-dihydroxy-5-methoxy-2H-pyrano[2,3,4-kl]xanthen-2-one
3,6-Dimethoxy-1,4,5,8-tetrahydrophenanthrene-1,4,5,8-tetraone
8-bromo-9-hydroxy-7,7-dimethyl-11-methylenespiro[5.5]undec-1-en-3-one|mailione|mailione
C14H19BrO2 (298.05683339999996)
1-Hydroxy-4-(methylsulfinyl)-6H-indolo[3,2,1-de][1,5]naphthyridine-6-one
C15H10N2O3S (298.04121100000003)
2beta,3beta-dihydroxy-3alpha-vanilloylmethyl-gamma-lactone|phellolactone
1,3-Dihydroxy-2-methoxy-(1)benzoxolo(2,3-b)chromen-11-one
2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
Calcium Pantothenate
C9H16NO5.1/2 Ca (298.02802460000004)
D-Pantothenic acid hemicalcium salt is a vitamin that reduces patulin in apple juice. D-Pantothenic acid hemicalcium salt is a vitamin that reduces patulin in apple juice.
Hedysarimcoumestan B
Hedysarimcoumestan B is a natural product found in Corethrodendron multijugum and Glycyrrhiza glabra with data available.
C11H14N4O4S_6H-Purin-6-one, 1,9-dihydro-9-(5-S-methyl-5-thiopentofuranosyl)
C11H14N4O4S (298.07357240000005)
3-chloro-4-hydrazinophenylmethylsulfonylmethyl sulfone
3,8-dihydroxy-1-methylanthraquinone-2-carboxylic acid
Isotrifoliol
[4-(THIOPHENE-2-CARBONYL)-PHENYL]-THIOPHEN-2-YL-METHANONE
(3-PIPERIDIN-4-YL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
C11H13F3O4S (298.04866140000007)
6-BROMO-8-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
METHYL 4-CHLORO-1-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
[4-(4-METHOXYPHENOXY)PHENYL]SULFONYL CHLORIDE
C13H11ClO4S (298.00665560000004)
4-ACETYLTETRAHYDRO-1(2H)-PYRAZINECARBOXIMIDAMIDE HYDROIODIDE
C7H15IN4O (298.02905699999997)
3-(2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-sulfonyl)-propionic acid
C11H10N2O6S (298.02595600000006)
TERT-BUTYL 7-CHLORO-5-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE-3-CARBOXYLATE
2,4-DICHLORO-6-(4-FLUORO-PHENOXYMETHYL)-BENZALDEHYDE
C14H9Cl2FO2 (297.99636059999995)
(3R,4S)-4-(4-CHLOROPHENYL)-1-METHYLPIPERIDINE-3-CARBOXYLICACIDMETHYLESTER
C11H13F3O4S (298.04866140000007)
7-Chloro-8-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
7-Chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
7-Chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
3-AMINO-3-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(2,5-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(3,4-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-4-CHLORO-BENZENESULFONIC ACID 4-AMINO-PHENYL ESTER
2-[(4-Fluorophenyl)sulfonyl]hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one
Unifiram (DM232) is acts as a potent cognition enhancer?through the activation of the AMPA-mediated neurotransmission system. Unifiram (DM232) has the potential for amnesia prevention and neurodegenerative disorder research[1][2].
3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole-5-carbonitrile
5-CHLORO-2-[(2-CHLORO-6-FLUOROBENZYL)OXY]BENZALDEHYDE
C14H9Cl2FO2 (297.99636059999995)
5-CHLORO-2-[(2-CHLORO-4-FLUOROBENZYL)OXY]BENZALDEHYDE
C14H9Cl2FO2 (297.99636059999995)
1-[2-(4-Bromophenoxy)ethyl]-4-methylpiperazine
C13H19BrN2O (298.06806639999996)
1-(2,4-DICHLORO-BETA-[(2,4-DICHLOROBENZYL)OXY]PHENETHYL)IMIDAZOLENITRATE
METHYL 2-FLUORO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H10F4O2 (298.06168879999996)
METHYL 4-FLUORO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H10F4O2 (298.06168879999996)
(3-Bromo-5-nitrophenyl)(pyrrolidin-1-yl)methanone
C11H11BrN2O3 (297.99529959999995)
(4S)-2-(5-fluoro-6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydrothia zole-4-carboxylic acid
5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
6-Methylmercaptopurine riboside
C11H14N4O4S (298.07357240000005)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite 6-Methylmercaptopurine riboside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
3-(4-ETHOXYPHENYL)-2-THIOXO-2,3-DIHYDROQUINAZOLIN-4(1H)-ONE
1-[(4-Methylphenyl)sulfonyl]-5-vinyl-1H-pyrrolo[2,3-b]pyridine
2-Naphthalenol,1-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-
N-(4-CHLOROBENZYL)-N-(4-METHOXYPHENYL)HYDRAZINE HYDROCHLORIDE
C14H16Cl2N2O (298.06396259999997)
METHYL 3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
2-Amino-2-[6-(4-chlorophenyl)-3-pyridyl]acetic Acid Hydrochloride
5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
C11H11BrN2O3 (297.99529959999995)
Palladium(2+) nitrate ammoniate (1:2:4)
H12N6O6Pd (297.98530420000003)
(2-AMINOETHYL)TRIMETHYLAMMONIUMCHLORIDEHYDROCHLORIDE
C12H12ClN2O3P (298.02740420000003)
1-(3-BROMOBENZYL)-4-METHYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
DIETHYL 2-(((5-CHLOROPYRIDIN-2-YL)AMINO)METHYLENE)MALONATE
ISOPROPYL 3-CHLORO-5-METHOXY-6-METHYLBENZO[B]THIOPHENE-2-CARBOXYLATE
3-(5-(2-TRIFLUOROMETHOXYPHENYL)2-FURYL)PROPENOIC ACID
5-(4-CHLORO-PHENYL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicacid
tert-butyl 3-bromo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate
2-[(5-bromo-7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]acetohydrazide
2-(PIPERAZIN-1-YL)-N-THIAZOL-2-YL-ACETAMIDEDIHYDROCHLORIDE
C9H16Cl2N4OS (298.04218260000005)
4-(2-methoxyphenoxy)benzenesulfonyl chloride
C13H11ClO4S (298.00665560000004)
3-(4-CHLORO-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
8-(5-bromo-pyridin-2-yl)-1,4-dioxa-8-aza-spiro[4.5]decane
N-carbamoyl-5-cyano-6-phenylsulfanylpyridine-3-carboxamide
C14H10N4O2S (298.05244400000004)
1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
2-(4-CHLORO-PHENYL)-5-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
7-chloro-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoic acid
C14H10N4O2S (298.05244400000004)
ETHYL 2-(TRIFLUOROMETHYL SULFONYLOXY)BENZOATE
C10H9F3O5S (298.01227800000004)
(1-AMINOMETHYL-CYCLOHEXYL)-CARBAMICACIDTERT-BUTYLESTER
trans-4-[[(2-Amino-5-bromophenyl)Methyl]amino]-cyclohexanol
C13H19BrN2O (298.06806639999996)
3-b-D-Ribofuranosyl-6-hydroxyMethyl-furano[2,3-d]-pyriMidin-2-one
trans-2-(4-Bromophenyl)-5-butyl-1,3-dioxane
C14H19BrO2 (298.05683339999996)
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BBrO3 (298.03757959999996)
(4-(4-(TRIFLUOROMETHOXY)PHENOXY)PHENYL)BORONIC ACID
C13H10BF3O4 (298.06242060000005)
3-(2-ethoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
1-(2,4-Dichlorophenoxyacetyl)-3,5-dimethyl pyrazole
5-(chloromethyl)-3-[4-(1,3-dithiolan-2-yl)phenyl]-1,2,4-oxadiazole
ethyl (2Z,4Z)-5-chloro-2-(chloromethyl)-5-(4-methylphenyl)penta-2,4-dienoate
C15H16Cl2O2 (298.05272959999996)
6-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
3-(6-Bromoimidazo[1,2-b]pyridazin-2-yl)benzonitrile
Glyprothiazol
C11H14N4O2S2 (298.05581440000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
[1-(4-Hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Mailione
C14H19BrO2 (298.05683339999996)
A sesquiterpenoid isolated from the marine red algae, Laurencia scoparia.
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
4-(6-Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl) Butyl Phosphate
(1,8-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid
Zaltoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Aflatoxin P1
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins Metabolite of Aflatoxin B1
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
6-Benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Nicotinamide ascorbate
It is used as a food additive
3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine
[Hydroxy-[(3-methylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
7-[(2S)-2-amino-2-carboxyethyl]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
C12H14N2O5S (298.06233940000004)
Ethyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoate
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
3-[5-[(E)-(1H-tetrazol-5-ylhydrazono)methyl]-2-furyl]benzoic acid
C13H10N6O3 (298.08143500000006)
Ethyl 3-cyano-6-methyl-2-(phenylthio)isonicotinate
3-[(3-Methylphenyl)methylthio]-6-thiophen-2-ylpyridazine
N-(4-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
2-{[(E)-thiophen-2-ylmethylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide
5-nitro-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-1H-indole]one
Magnesium salicylate
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
QUINALPHOS
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
8-[(1-hydroxyethylidene)amino]-7-oxophenoxazine-2-carboxylic acid
(2s,3s)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
3,5-dihydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
(2s,4r,5s,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
5,7-dihydroxy-6-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
3,9-dihydroxy-4-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one
{"Ingredient_id": "HBIN007844","Ingredient_name": "3,9-dihydroxy-4-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one","Alias": "NA","Ingredient_formula": "C16H10O6","Ingredient_Smile": "COC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5961","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxycarbonyl-1,5-dihydroxyanthra-quinone
{"Ingredient_id": "HBIN008820","Ingredient_name": "3-methoxycarbonyl-1,5-dihydroxyanthra-quinone","Alias": "NA","Ingredient_formula": "C16H10O6","Ingredient_Smile": "COC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C=CC=C3O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13866","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-4-(e)-caffeoyl-l-threonicacid
{"Ingredient_id": "HBIN010346","Ingredient_name": "(?)-4-(e)-caffeoyl-l-threonicacid","Alias": "NA","Ingredient_formula": "C13H14O8","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2928","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6s,8s,9r)-8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)
(3,4-dihydroxy-5-oxooxolan-3-yl)methyl 4-hydroxy-3-methoxybenzoate
5,14-dihydroxy-13-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
8-hydroxy-4-[(s)-methanesulfinyl]-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O3S (298.04121100000003)
(2r,4ar,6r,7s,8s,8ar)-6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
4-bromo-6-[(3e)-4-chloro-2-hydroxybut-3-en-2-yl]-3-methyloxan-3-ol
8-hydroxy-4-methanesulfinyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O3S (298.04121100000003)
3,4-dihydroxy-1-methoxy-9,10-dioxoanthracene-2-carbaldehyde
2-(hydroxymethyl)-6-[(3-methanesulfonylprop-2-en-1-yl)oxy]oxane-3,4,5-triol
C10H18O8S (298.07223480000005)
4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde
(2s,4ar,6r,7s,8s,8ar)-6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
7-hydroxy-6-(methoxycarbonyl)phenazine-1-carboxylic acid
2-[(6-hydroxypurin-9-yl)methyl]-5-(methylsulfanyl)oxolane-3,4-diol
C11H14N4O4S (298.07357240000005)
(3r,4r,6s)-4-bromo-6-[(2s,3e)-4-chloro-2-hydroxybut-3-en-2-yl]-3-methyloxan-3-ol
[(3s,4s)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
(2r,3s,4r,5r)-2-[(6-hydroxypurin-9-yl)methyl]-5-(methylsulfanyl)oxolane-3,4-diol
C11H14N4O4S (298.07357240000005)
3-hydroxy-1-methoxy-9,10-dioxoanthracene-2-carboxylic acid
3,5-dihydroxy-1-methoxy-9,10-dioxoanthracene-2-carbaldehyde
5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
7,14-dihydroxy-5-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
2-(4-bromophenyl)-2-oxoethyl (2s)-2-methylbutanoate
4-(2,4-dihydroxypteridin-6-yl)-2-hydroxy-6h-1,3,2λ⁵-dioxaphosphinin-2-one
(2s,4r,5r,6s,7s)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
(3r,4r,6s)-4-bromo-6-[(2r,3e)-4-chloro-2-hydroxybut-3-en-2-yl]-3-methyloxan-3-ol
n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid
6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
7-hydroxy-3-(7-hydroxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
5,14-dihydroxy-6-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)
4,14-dihydroxy-5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
4,5-dihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
(2s,3r)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
methyl 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2e)-3-methanesulfonylprop-2-en-1-yl]oxy}oxane-3,4,5-triol
C10H18O8S (298.07223480000005)
(8r,9s)-8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)