Exact Mass: 424.0688816
Exact Mass Matches: 424.0688816
Found 264 metabolites which its exact mass value is equals to given mass value 424.0688816,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cefuroxime
Cefuroxime is only found in individuals that have used or taken this drug. It is a broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, gonorrhea, and haemophilus. [PubChem]Cefuroxime, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefuroxime interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Azimsulfuron
C13H16N10O5S (424.10258060000007)
Acetolactate synthase inhibitor. Post-emergence herbicide for control of Echinochloa subspecies, used especies on rice. Acetolactate synthase inhibitor. Post-emergence herbicide for control of Echinochloa species, used especially on rice.
3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone
3-Glucosyl-2,3,4,4,6-pentahydroxybenzophenone is found in fruits. 3-Glucosyl-2,3,4,4,6-pentahydroxybenzophenone is a constituent of leaves of Mangifera indica (mango)
BL V
BL V is found in mushrooms. BL V is a constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported).
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
7-Hydroxyethyl biscoumacetate
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
5-[[4-[2-Hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
C22H20N2O5S (424.10928700000005)
Sotagliflozin
C21H25ClO5S (424.11111500000004)
Zibotentan
Zibotentan is an orally available selective antagonist of the endothelin-A (ET-A) receptor with potential antineoplastic activity. Zibotentan binds selectively to the ET-A receptor, thereby inhibiting endothelin-mediated mechanisms that promote tumor cell proliferation. Zibotentan (ZD4054) is a potent, selective and orally active endothelin A (ETA) receptor antagonist with a Ki of 13 nM. Zibotentan has no inhibitory effect on ETB. Zibotentan has anticancer effects and can be used for castration-resistant prostate cancer (CRPC) research. Zibotentan. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=186497-07-4 (retrieved 2024-10-09) (CAS RN: 186497-07-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
2,3,4,4a,7,7a,9,10,11,11a,14,14a-Dodecahydro-4,11-dihydroxy-8H,13H-6a,13a-epidithio-1H,6H-pyrazino[1,2-a:4,5-a]diindole-1,6,8,13-tetrone
6-Hydroxy-6a,12a-dehydro-alpha-toxicarol
6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Quercetin 7,3,4-trimethyl ether 3-sulfate
C18H16O10S (424.04641560000005)
demethylkotanin
A member of the class of 8,8-bicoumarins that is kotanin in which the methoxy group at position 7 is replaced by a hydroxy group. A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971.
Mikanin 3-O-sulfate
C18H16O10S (424.04641560000005)
1-O-(4-hydroxybenzoyl),3-O-beta-D-glucopyranoside-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one,
(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4-dihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano<3,4-c>-2-benzopyran-1-one|(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4-dihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano[3,4-c]-2-benzopyran-1-one|(2R,3S,4S)-6-(3,4-Dihydroxyphenyl)-6alpha,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one|(6R,6aS,12bR)-3,10,11,12-tetrahydroxy-6-(3,4-dihydroxyphenyl)-6a,12b-dihydro[1]benzopyrano[3,4-c][2]benzopyran-8(6H)-one
2-Hydroxy-3-chlordiospyrin|3-Chloro, 2-hydroxy-Diospyrin
C22H13ClO7 (424.03497780000004)
pyromeconic acid 3-O-beta-D-glucopyranoside 6-(O-4-hydroxy-3-methoxybenzoate)
2,4,3,4-tetrahydroxybenzophenone-6-O-beta-glucopyranoside|2,4,6,3,4-pentahydroxybenzophenone 2-O-beta-D-glucopyranoside|2-(3,4-dihydroxybenzoyl)-3,5-dihydroxyphenyl beta-D-glucopyranoside|maclurin-6-O-beta-glucopyranoside|rhodanthenone B
(2R,3S)-trans-8-(2-carbonyl-4,5-dihydroxy)-phenyl-7,7-lactonecatechin|catechin lactone A
4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl 3,4-dihydroxybenzoate|eusmoside C
2,4,5,6-tetrahydroxybenzophenone-3-O-beta-D-glucopyranoside|perforaphenonoside A
(2S, 3R)-9-(5,6-dihydroxy-2-hydroxymethyl-2,3-dihydrobenzofuran-3-yloxy)-6H-dibenzopyran-6-one|(2S, 3R)-9-(5,6-dihydroxy-2-hydroxymethyl-2,3-dihydrobenzo[b]furan-3-yloxy)-6H-dibenzo[b,d]pyran-6-one|5-Hyddroxy-9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one
cefuroxime
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Ala Cys Cys Glu
C14H24N4O7S2 (424.10863539999997)
Ala Cys Glu Cys
C14H24N4O7S2 (424.10863539999997)
Ala Glu Cys Cys
C14H24N4O7S2 (424.10863539999997)
Cys Ala Cys Glu
C14H24N4O7S2 (424.10863539999997)
Cys Ala Glu Cys
C14H24N4O7S2 (424.10863539999997)
Cys Cys Ala Glu
C14H24N4O7S2 (424.10863539999997)
Cys Cys Cys Pro
Cys Cys Glu Ala
C14H24N4O7S2 (424.10863539999997)
Cys Cys Pro Cys
Cys Asp Gly Met
C14H24N4O7S2 (424.10863539999997)
Cys Asp Met Gly
C14H24N4O7S2 (424.10863539999997)
Cys Glu Ala Cys
C14H24N4O7S2 (424.10863539999997)
Cys Glu Cys Ala
C14H24N4O7S2 (424.10863539999997)
Cys Gly Asp Met
C14H24N4O7S2 (424.10863539999997)
Cys Gly Met Asp
C14H24N4O7S2 (424.10863539999997)
Cys Met Asp Gly
C14H24N4O7S2 (424.10863539999997)
Cys Met Gly Asp
C14H24N4O7S2 (424.10863539999997)
Cys Pro Cys Cys
Asp Cys Gly Met
C14H24N4O7S2 (424.10863539999997)
Asp Cys Met Gly
C14H24N4O7S2 (424.10863539999997)
Asp Gly Cys Met
C14H24N4O7S2 (424.10863539999997)
Asp Gly Met Cys
C14H24N4O7S2 (424.10863539999997)
Asp Met Cys Gly
C14H24N4O7S2 (424.10863539999997)
Asp Met Gly Cys
C14H24N4O7S2 (424.10863539999997)
Glu Ala Cys Cys
C14H24N4O7S2 (424.10863539999997)
Glu Cys Ala Cys
C14H24N4O7S2 (424.10863539999997)
Glu Cys Cys Ala
C14H24N4O7S2 (424.10863539999997)
Gly Cys Asp Met
C14H24N4O7S2 (424.10863539999997)
Gly Cys Met Asp
C14H24N4O7S2 (424.10863539999997)
Gly Asp Cys Met
C14H24N4O7S2 (424.10863539999997)
Gly Asp Met Cys
C14H24N4O7S2 (424.10863539999997)
Gly Met Cys Asp
C14H24N4O7S2 (424.10863539999997)
Gly Met Asp Cys
C14H24N4O7S2 (424.10863539999997)
p-Hydroxyphenobarbital glucuronide
C18H20N2O10 (424.11179000000004)
Met Cys Asp Gly
C14H24N4O7S2 (424.10863539999997)
Met Cys Gly Asp
C14H24N4O7S2 (424.10863539999997)
Met Asp Cys Gly
C14H24N4O7S2 (424.10863539999997)
Met Asp Gly Cys
C14H24N4O7S2 (424.10863539999997)
Met Gly Cys Asp
C14H24N4O7S2 (424.10863539999997)
Met Gly Asp Cys
C14H24N4O7S2 (424.10863539999997)
Pro Cys Cys Cys
Thiamin diphosphate
C12H18N4O7P2S (424.03714180000003)
3-Glucosylmaclurin
BL V
cyclohexyltriphenylphosphonium bromide
C24H26BrP (424.09553860000005)
(1Z,5Z)-cycloocta-1,5-diene,rhodium,tetrafluoroborate,hydrate
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-methoxybenzenesulfonamide
C18H22BClN2O5S (424.10309420000004)
2-[2-(Methylthio)pyrimidin-4-yl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
C20H16N4O3S2 (424.06637859999995)
5-Fluorouridine 5-O-β-D-galactopyranoside
C15H21FN2O11 (424.11293279999995)
3-(2-(2,4-DIFLUOROPHENOXY)-6-OXO-6H-PYRIDO[1,2-B]PYRIDAZIN-5-YL)-4-METHOXYBENZOIC ACID
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-iodo-5-(1-Methyl-1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester
LX-4211
C21H25ClO5S (424.11111500000004)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
alpha-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1,4-dihydro-4-oxoquinazoline-2-acetonitrile
C22H12N6O4 (424.09199920000003)
2,3-BIS(4-NITROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE
C19H13ClN6O4 (424.06867680000005)
1,8-Bis(phenylthio)anthracene-9,10-dione
C26H16O2S2 (424.05916759999997)
(3S,4R)-METHYL 3-(4-CHLOROBENZOYL)-6-(4-CHLOROPHENYL)-3,4,5-TRIHYDROXY-6-OXOHEXANOATE
rac-Ethylenebis(4,5,6,7-tetrahydro-1-indenyl)]zirconium dichloride
rac-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium dichloride
1,2-Diacetoxy-4,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran
ROS Probe, HPF
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
2-(1,3-Benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone
3-(2-benzofuranyl)-N-(4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide
2-[(3-Hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid
Zibotentan
C28313 - Endothelin Receptor Antagonist Zibotentan (ZD4054) is a potent, selective and orally active endothelin A (ETA) receptor antagonist with a Ki of 13 nM. Zibotentan has no inhibitory effect on ETB. Zibotentan has anticancer effects and can be used for castration-resistant prostate cancer (CRPC) research[1][2].
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2,6-dimethoxybenzamide
C22H17ClN2O3S (424.06483620000006)
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
[(Z)-[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
C14H18NO10S2- (424.03721079999997)
rostratin B
An organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
(2,6-Difluorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone
C19H18F2N2O5S (424.09044420000004)
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
N-(3,5-dichloro-2-pyridinyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide
[4-(2,6-Difluorophenyl)sulfonyl-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
C19H18F2N2O5S (424.09044420000004)
1-(2-Furanylmethyl)-3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea
1-(3-Chloropropyl)-5-[[(2-chloro-3-pyridinyl)amino]methylidene]-3-cyclohexyl-1,3-diazinane-2,4,6-trione
C19H22Cl2N4O3 (424.10688819999996)
2-(6-Fluoro-10-oxo-1,2-dihydro-10H-3-thia-4,9,10a-triaza-cyclopenta[b]fluoren-9-yl)-N-(2-methoxy-phenyl)-acetamide
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamide
C22H20N2O5S (424.10928700000005)
[4-[[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]thio]methyl]phenyl]-hydroxy-methylsulfonium
(6R,7S)-3-(carbamoyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(5E)-3-(Furan-2-ylmethyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
hydron;(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide
C18H22N3O5S2+ (424.10008220000003)
4-[[3-(3-Chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile
2-(2-Oxo-9-sulooxy-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbut-2-enoate
2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[1-hydroxy-2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl (E)-3-(2,4-dihydroxyphenyl)prop-2-enoate
thiamine(1+) diphosphate(1-)
C12H18N4O7P2S (424.03714180000003)
An ammonium betaine that is the conjugate base of thiamine(1+) diphosphate arising from the deprotonation of one of the hydroxy groups of the terminal phosphate group.
ML375
C23H15ClF2N2O2 (424.07900639999997)
ML375 (VU0483253) is a potent, highly selective, brain-penetrant and orally active M5 mAChR negative allosteric modulator (NAM) with IC50s of 300 nM and 790 nM for human and rat M5, respectively. ML375 is inactive at human and rat M1-M4[1].
NP-1815-PX (sodium)
C21H13N4NaO3S (424.0606028000001)
NP-1815-PX sodium is a potent and selective P2X4R antagonist. NP-1815-PX sodium has anti-inflammatory activity, and can relieve pain in chronic pain models. NP-1815-PX sodium also inhibits guinea pig tracheal/bronchial smooth muscle (TSM and BSM) contractions[1][2][3].
(4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxybenzoate
9-(3,4-dihydroxyphenyl)-5,15,16,17-tetrahydroxy-8,11-dioxatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-2,4,6,13(18),14,16-hexaen-12-one
4-(acetyloxy)-6,11,12-trihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl acetate
{3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-1-oxo-6h-pyrano[4,3-c]isochromen-6-yl}acetic acid
5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,12-dione
(1r,5s,6s)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-5-hydroxy-4-oxocyclohex-2-en-1-yl benzoate
(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxybenzoate
2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
2,5-dihydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-6-(3,4,5-trihydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
2,3,4',5,6-pentahydroxybenzophenone-4-c-glucoside
{"Ingredient_id": "HBIN003853","Ingredient_name": "2,3,4',5,6-pentahydroxybenzophenone-4-c-glucoside","Alias": "NA","Ingredient_formula": "C19H20O11","Ingredient_Smile": "C1=CC(=CC=C1C(=O)C2=C(C(=C(C(=C2O)O)C3C(C(C(C(O3)CO)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-galloylarbutin
{"Ingredient_id": "HBIN006241","Ingredient_name": "2-o-galloylarbutin","Alias": "NA","Ingredient_formula": "C19H20O11","Ingredient_Smile": "C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "424.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8535;21335","PubChem_id": "44586968","DrugBank_id": "NA"}
6-O-galloylarbutin
{"Ingredient_id": "HBIN012681","Ingredient_name": "6-O-galloylarbutin","Alias": "6-o-galloylarbutin; 6-O-gal-loylarbutin","Ingredient_formula": "C19H20O11","Ingredient_Smile": "C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O","Ingredient_weight": "424.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38107;38293","TCMSP_id": "NA","TCM_ID_id": "7523;19427;21431","PubChem_id": "3083924","DrugBank_id": "NA"}
arbutin; 6-o-(3,4,5-trihydroxybenzoyl)
{"Ingredient_id": "HBIN016602","Ingredient_name": "arbutin; 6-o-(3,4,5-trihydroxybenzoyl)","Alias": "NA","Ingredient_formula": "C19H20O11","Ingredient_Smile": "NA","Ingredient_weight": "424.36","OB_score": "NA","CAS_id": "5991-00-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6711","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3r,4r,5s,6r)-2-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
(6s,21s)-10,21-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
(2r,5s,7s)-2-(1-bromopropyl)-5,7-dichloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
2-{2-[2-(2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl)-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl}-1,3-thiazole
C18H24N4S4 (424.08837439999996)
1,5-dimethyl (2s,4r)-2,4-dihydroxy-2-[(2s)-5-hydroxy-7-methyl-4-oxo-2h,3h-thieno[2,3-b]chromen-2-yl]pentanedioate
2-(1-bromopropyl)-5,7-dichloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 3,4,5-trihydroxybenzoate
(2r,4s,5s,7s,8s)-2-[(1s)-1-bromopropyl]-5,7-dichloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
9-(2h-1,3-benzodioxol-5-yl)-3,5,6,7-tetramethoxy-3h-naphtho[2,3-c]furan-1-one
10,21-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
(2r,3r,5e)-1-[(2s,3s,5r,6r)-5-bromo-3-chloro-6-ethyloxan-2-yl]-3-chlorooct-5-en-7-yn-2-yl acetate
C17H23BrCl2O3 (424.02075279999997)
11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),3,5,9,11,15(20),16,18-octaen-13-one
(5e)-1-[(2r,3r,5r,6s)-5-bromo-3-chloro-6-ethyloxan-2-yl]-3-chlorooct-5-en-7-yn-2-yl acetate
C17H23BrCl2O3 (424.02075279999997)
(2s,3r,4s,5s,6r)-2-[4-hydroxy-2-(2,4,6-trihydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,4s,5s,7s,8s)-2-[(1s)-1-bromopropyl]-5,7-dichloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
2-(1-bromopropyl)-5,7-dichloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
(5r,6r)-3-{2-[(1-hydroxyethylidene)amino]ethanesulfinyl}-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C14H20N2O9S2 (424.06101900000004)
9-(2h-1,3-benzodioxol-5-yl)-4,5,6,7-tetramethoxy-3h-naphtho[2,3-c]furan-1-one
methyl (1r,3ar,5s,9br)-7-bromo-5,6-dihydroxy-1-isopropyl-3a,8-dimethyl-4-oxo-1h,2h,3h,9bh-cyclopenta[a]naphthalene-5-carboxylate
3-(3-hydroxybenzoyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1,2,4,5-tetrol
6-(acetyloxy)-7-[(benzoyloxy)methyl]-3,8-dioxatricyclo[5.1.0.0²,⁴]octan-5-yl benzoate
(6r,21s)-10,21-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
3-(4-hydroxybenzoyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1,2,4,5-tetrol
(5r,6r)-3-[(r)-2-[(1-hydroxyethylidene)amino]ethanesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C14H20N2O9S2 (424.06101900000004)
(2s,3r,4s,5s,7r)-3-(bromomethyl)-5-chloro-7-[(1r,3z)-1-chlorohex-3-en-5-yn-1-yl]-2-ethyloxepan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
1,5-dimethyl (2s,4r)-2,4-dihydroxy-2-[(2r)-5-hydroxy-7-methyl-4-oxo-2h,3h-thieno[2,3-b]chromen-2-yl]pentanedioate
{3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-1-oxo-6h-pyrano[4,3-c]isochromen-6-yl}acetic acid
methyl 7-bromo-4,6-dihydroxy-1-isopropyl-3a,8-dimethyl-5-oxo-1h,2h,3h,9bh-cyclopenta[a]naphthalene-4-carboxylate
2',6-dihydroxy-5'-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-[1,1'-biphenyl]-3-carboxylic acid
2',6-dihydroxy-5'-[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carboxylic acid
(2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoic acid
methyl 7-bromo-5,6-dihydroxy-1-isopropyl-3a,8-dimethyl-4-oxo-1h,2h,3h,9bh-cyclopenta[a]naphthalene-5-carboxylate
4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 3,4,5-trihydroxybenzoate
2-[4-hydroxy-2-(2,4,6-trihydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,4s,5s,7s,8s)-2-[(1r)-1-bromopropyl]-5,7-dichloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
3-(bromomethyl)-5-chloro-7-(1-chlorohex-3-en-5-yn-1-yl)-2-ethyloxepan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
(1r,4s,5s,8s,9s,11r,14s,15s,18s,19s)-5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,12-dione
[(6r)-3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-1-oxo-6h-pyrano[4,3-c]isochromen-6-yl]acetic acid
6',7'-dimethoxy-8,8-dimethyl-2'h-spiro[[1,3]dioxino[4,5-f]chromene-2,3'-[1]benzopyran]-4,4'-dione
2',6-dihydroxy-5'-[(2s,3s)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carboxylic acid
2-[(4s)-2-[(4r)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-1,3-thiazole
C18H24N4S4 (424.08837439999996)
(2r,4s,5s,7s,8s)-2-[(1r)-1-bromopropyl]-5,7-dichloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
(1r,9r,10s)-9-(3,4-dihydroxyphenyl)-5,15,16,17-tetrahydroxy-8,11-dioxatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-2,4,6,13(18),14,16-hexaen-12-one
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-[6,6'-bichromene]-2,2'-dione
(1r,2s,4r,5s,6r,7r)-6-(acetyloxy)-7-[(benzoyloxy)methyl]-3,8-dioxatricyclo[5.1.0.0²,⁴]octan-5-yl benzoate
4,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(2s,3r,4s,5s,6r)-2-[4-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-hydroxy-3,4-bis(4-hydroxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
(2r,4s,5s,7s,8s)-2-[(1r)-1-bromopropyl]-5,7-dichloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)
3-(4-hydroxybenzoyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1,2,4,5-tetrol
3-hydroxy-5-methylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoate
3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium
C12H18N4O7P2S (424.03714180000003)
8-(acetyloxy)-11-methoxy-2,2-dimethyl-10-oxo-1,5-dioxatetraphen-7-yl acetate
7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-[6,8'-bichromene]-2,2'-dione
5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
[(6r)-3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-1-oxo-6h-pyrano[4,3-c]isochromen-6-yl]acetic acid
9-(2h-1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3h-naphtho[2,3-c]furan-1-one
4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
(22s)-11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),3,5,9,11,15(20),16,18-octaen-13-one
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-[3,8'-bichromene]-2,2'-dione
(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate
(1r,4s,5s,9s,11r,14s,15s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
(4s,5s,7s,8s)-2-[(1r)-1-bromopropyl]-5,7-dichloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
C17H23BrCl2O3 (424.02075279999997)