Exact Mass: 368.0411842
Exact Mass Matches: 368.0411842
Found 357 metabolites which its exact mass value is equals to given mass value 368.0411842,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Orotidylic acid
C10H13N2O11P (368.02569580000005)
Orotidylic acid, also known as 5-(dihydrogen phosphate)orotidine or omp, is a member of the class of compounds known as pyrimidine ribonucleoside monophosphates. Pyrimidine ribonucleoside monophosphates are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety. Orotidylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Orotidylic acid can be found in a number of food items such as coriander, summer savory, oriental wheat, and sourdough, which makes orotidylic acid a potential biomarker for the consumption of these food products. Orotidylic acid can be found primarily in prostate Tissue, as well as in human prostate tissue. Orotidylic acid exists in all living species, ranging from bacteria to humans. In humans, orotidylic acid is involved in a couple of metabolic pathways, which include glycine and serine metabolism and pyrimidine metabolism. Orotidylic acid is also involved in several metabolic disorders, some of which include dihydropyrimidinase deficiency, dihydropyrimidine dehydrogenase deficiency (DHPD), 3-phosphoglycerate dehydrogenase deficiency, and non ketotic hyperglycinemia. Moreover, orotidylic acid is found to be associated with prostate cancer. Orotidylic acid (OMP), is a pyrimidine nucleotide which is the last intermediate in the biosynthesis of uridine monophosphate. Decarboxylation by Orotidylate decarboxylase affords Uridine 5-phosphate which is the route to Uridine and its derivatives de novo and consequently one of the most important processes in nucleic acid synthesis (Dictionary of Organic Compounds). In humans, the enzyme UMP synthase converts OMP into uridine 5- monophosphate. If UMP synthase is defective, orotic aciduria can result. (Wikipedia). KEIO_ID O015; [MS2] KO009132 KEIO_ID O015
Averufin
CONFIDENCE isolated standard
PD116740
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6-methyl-2-(methylthio)-3,4-dione
C17H17ClO5S (368.04851820000005)
12-Deoxynogalonic acid
A member of the class of anthraquinones that is 10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid bearing two additional hydroxy substituents at positions 4 and 5. An intermediate in the biosynthesis of nogalamycin.
Pyritinol
C16H20N2O4S2 (368.08644400000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Velloquercetin
An extended flavonoid that consists of quercetin substituted by a 2-isopropenyldihydrofuran ring across positions 6 and 7.
12alpha-Hydroxyerosone
12alpha-Hydroxyerosone is found in jicama. 12alpha-Hydroxyerosone is a constituent of Pachyrrhizus erosus (yam bean). Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxyerosone is found in jicama and pulses.
Chlormerodrin
C5H11ClHgN2O2 (368.02153359999994)
Chlormerodrin is a mercurial compound with toxic side effects that was previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. It is no longer used and has been replaced with new classes of diuretic drugs.
3'-O-Methyl-(-)-epicatechin-7-O-sulphate
3-O-Methyl-(-)-epicatechin-7-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
Fentin
Fentin, also known as [sn(OH)PH3] or du-ter, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Fentin is considered to be a practically insoluble (in water) and relatively neutral molecule. Fentin participates in a number of enzymatic reactions. In particular, fentin can be biosynthesized from triphenylstannane. Fentin can also be converted into fentin acetate. Fentin is a potentially toxic compound. Agricultural fungicide for potatoes, sugar beet, pecans and peanuts
3-Hydroxyhalazepam
Diacerein
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78281 - Agent Affecting Musculoskeletal System D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases. Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases.
Pyrithioxin
C16H20N2O4S2 (368.08644400000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Diacerein
4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid is an anthraquinone. Diacerein is a prodrug which is metabolized to rhein. It is currently approved in France for the treatment of osteoarthritis although the use of diacerein is restricted due to the side effects including severe diarrhea. Diacerein is under investigation for the treatment of Insulin Resistance, Diabetes Mellitus (Type 2), and Diabetes-Related Complications. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78281 - Agent Affecting Musculoskeletal System D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases. Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases.
4,5-dihydro-6,8,10-trihydroxy-2-methyl-2,5-ethanoanthra[2,3-d]-1,3-dioxepin-7,12-dione
Malaccol
Candidusin B 2,2-Epoxy-3,6-dimethoxy-1,1,4,1-terphenyl-3,4,4,5-tetrol
Artoindonesianin P
An extended flavonoid that is 5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one substituted by hydroxy groups at positions 1, 3, 8 and 10 and geminal methyl groups at position 5. It is isolated from the tree barks of Artocarpus lanceifolius and exhibits cytotoxicity against human murine leukemia cells.
Corylidin
3,4-Methylenedioxy-2-hydroxy-3,6-dimethoxy-[2,3:4,5]-furanochalcone
Cyclochampedol
UCT 1O72M3
12-Hydroxyerosone
O1-{[5-(3-Thienyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)benzene-1-carbohydroximamide
2,2-(1,4-Phenylene)bis(4H-benzo[d][1,3]oxazin-4-one)
C22H12N2O4 (368.07970320000004)
2-(4-Hydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,10-dione
C1=C2C(=O)C3=CC(OC)=CC(OC)=C3C(=O)C2=C(O)C2=C1OC1OCCC12
4,5-di-O-acetylprunetin|5,4-diacetoxy-7-methoxyisoflavone|5-Acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-on|5-acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-one|prunetin diacetate
4,4-dimethoxypulvinic acid|4,4-dimethoxyvulpinic acid
2,4-Dichlor-3-hydroxy-7-methoxy-1,5,8-trimethyl-depsidon|2,4-Dichlor-3-hydroxy-7-methoxy-1,5,8-trimethyl-depsidon, Vicanicin|2,4-dichloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-dibenzo[b,e][1,4]dioxepin-11-one|fulgoicin
3,7-di-O-acetylcalycosin|3,7-Diacetoxy-4-methoxyisoflavon|3-Hydroxy-formomonetin-diacetat|7,3-Diacetoxy-4-methoxy-isoflavon|7-acetoxy-3-(3-acetoxy-4-methoxy-phenyl)-chromen-4-one
3-Acetoxy-4-methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one
2,7-dichloro-1,3,6-trihydroxy-8-methylxanthone-Tri-Me ether
(+)-aptosimon|(-)-Aptosimon|(1S,2R,5R,6R)-(-)-aptosimon|Genkdaphin
9-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-6-methoxy-3H-naphtho[2,3-c]furan-1-one|Plicatinaphthalin|Plicatinaphthalin, 6-Hydroxy-2-(hydroxymethyl)-7-methoxy-4-(3,4-dihydroxy-5-methoxy-phenyl)-3-naphthalincarbonsaeurelacton
2-(2,4-Dihydroxyphenyl)-3,5-dihydroxy-8,8-dimethyl-8H-benzo[1,2-b:3,4-b]dipyran-4-one
(6S)-7-chloro-6-hydroxy-2,4,6-trimethoxy-6-methyl-3H-spiro[benzofuran-2,1-cyclohex[2]ene]-3,4-dione
(3R,4aR,13bS)-rel-(+)-1,2,3,4,4a,13b-Hexahydro-3,9,11,13-tetrahydroxy-anthra[2,3-b]benzofuran-7,12-dione
5,7-dihydroxychromone-7-O-beta-D-glucuronide methyl ester|7-(methyl glucuronide)-5-hydroxychromone
14-Hydroxy-Chloromonilinic acid B|chloromonilinic acid A
2-Sulfate-3-(3,4-Dihydroxyphenyl)-2,3-dihydro-2-hydroxy-1,4-benzodioxin-6-carboxaldehyde
2-O-caffeoylisocitric acid 6-methyl ester|E-2-(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)-3-(methoxycarbonyl)pentanedioic acid
(3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)dihydro-4-hydroxyfuran-2(3H)-one
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)
3-(1,3-benzodioxol-5-yl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione, 7-chloro-5-hydroxy-2,4,6-trimethoxy-6-methyl-, [1S-(1.alpha.,5.beta.,6.beta.)]-
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid
Cys Cys Gly Ser
Cys Cys Ser Gly
Cys Gly Cys Ser
Cys Gly Ser Cys
Cys Ser Cys Gly
Cys Ser Gly Cys
Gly Cys Cys Ser
Gly Cys Ser Cys
Gly Ser Cys Cys
Ser Cys Cys Gly
Ser Cys Gly Cys
Ser Gly Cys Cys
2-Deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-3-C-(methoxycarbonyl)pentaric acid
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] prop-2-enoate
tert-Butyl 4-(4-bromo-2-formylphenyl)piperazine-1-carboxylate
4-(3-BROMO-BENZOYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-[3-(4-BROMO-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID
2-hydroxypropanoyloxy(phenyl)mercury
C9H10HgO3 (368.03362300000003)
6-chloro-1-(4-methoxybenzyl)-4-(trifluoromethyl)quinazolin-2(1H)-one
2,2-(1,4-Phenylene)bis(4H-3,1-benzoxazin-4-one)
C22H12N2O4 (368.07970320000004)
Disodium uridine 5-phosphate
Uridine 5'-monophosphate disodium salt is component used for RNA synthesis. Uridine 5'-monophosphate disodium salt is component used for RNA synthesis.
10-(4-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
Adenosine 5′-monophosphoramidate sodium
C10H14N6NaO6P (368.06101140000004)
Adenosine 5′-monophosphoramidate sodium is an adenosine derivative and can be used as an intermediate for nucleotide synthesis. Adenosine 5′-monophosphoramidate has a significant effect on the accumulation of cyclic AMP[1]. Adenosine 5′-monophosphoramidate sodium is an adenosine derivative and can be used as an intermediate for nucleotide synthesis. Adenosine 5′-monophosphoramidate has a significant effect on the accumulation of cyclic AMP[1].
2-Amino-5-bromo-N-cyclohexyl-N-methylbenzylamine Dihydrochloride
4-(4-BROMO-BENZOYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
n,n-difluoro-2,2-bipyridinium bis(tetrafluoroborate)
C10H8B2F10N2 (368.07138679999997)
Benzenesulfonamide,N,N-1,2-ethanediylbis[4-methyl-
C16H20N2O4S2 (368.08644400000003)
4-(3-CHLORO-4-FLUOROPHENYL)-1,2-DIMETHYL-5-(QUINOXALIN-6-YL)-1H-PYRAZOL-3(2H)-ONE
2-Butoxypropyl (2,4,5-trichlorophenoxy)acetate
C15H19Cl3O4 (368.03488640000006)
4-(4-BROMO-2-ETHYL-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
Spiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one,3,6-dichloro-
C20H10Cl2O3 (368.00069700000006)
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
2,3-Diphenyl-5-(4-chlorophenyl)tetrazolium Chloride
ETHYL 2-(2-([(4-CHLOROPHENYL)SULFONYL]METHYL)PHENOXY)ACETATE
C17H17ClO5S (368.04851820000005)
[1-(3-BroMo-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride
1-Sulfobutyl-3-MethyliMidazoliuM trifluoroMethansulfonate
PD168393
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
n-(4-nitrophenylsulfonyl)-l-phenylalanyl chloride
C15H13ClN2O5S (368.0233678000001)
Firibastat
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione
3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate
4-Fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
methyl 2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}acetate
1-(2,6-Dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
2-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione, 7-chloro-4,6-dimethoxy-6-methyl-2-(methylthio)-
C17H17ClO5S (368.04851820000005)
hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium
2-(beta-D-glucopyranosyluronate)-D-glucuronate(2-)
[3-Amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](cyclopropyl)methanone
C16H11F3N2OS2 (368.02648719999996)
4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione
C18H13ClN4OS (368.04985580000005)
1-[3-[4-[(1-Methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
N-[(E)-1-(2,4-dichlorophenyl)methylidene]-N-phenyl-2-pyridinecarbohydrazonamide
5-bromo-N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
(6E)-6-{[5-(benzylthio)-2-furyl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-[[(5-Anilino-1,3,4-thiadiazol-2-yl)thio]methyl]isoindole-1,3-dione
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide
C19H16N2O2S2 (368.06531559999996)
1-(4-Chlorophenyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanone
C18H13ClN4OS (368.04985580000005)
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
C19H16N2O4S (368.08307360000003)
4-O-alpha-D-galactopyranuronosyl-D-galactopyranuronate
N-(2-methylsulanyl-1,3-benzothiazol-6-yl)-2-(triluoromethyl)benzamide
C16H11F3N2OS2 (368.02648719999996)
1-Tert-butyl-5-[(2,4-dichloro-5-fluorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C16H15Cl2FN4O (368.06068919999996)
4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
1-[2-[4-[(1-Methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
[5,7-Dihydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
[4-[2,3-Dioxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate
[3,4,5-Trihydroxy-6-(2,4,6-trihydroxyphenyl)oxan-2-yl]methyl hydrogen sulate
C12H16O11S (368.04133060000004)
[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid
[3,5,6-trihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] hydrogen sulfite
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid
(5R,6R)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
(1S,5S)-averufin
An organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)
alpha-D-GalpA-(1->4)-alpha-D-GalpA(2-)
An alpha-D-GalpA-(1->4)-D-GalpA(2-) in which both galacturonate units have alpha-D configuration.
Norsolorinate(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid.
Orotidine 5-phosphate
C10H13N2O11P (368.02569580000005)
A pyrimidine ribonucleoside 5-monophosphate having 6-carboxyuracil as the nucleobase.
versicolorone tetracyclic form
The tetracyclic anthrafuran form of versicolorone.
SLC26A3-IN-2
C19H13ClN2O2S (368.03862280000004)
SLC26A3-IN-2 is an orally active inhibitor of anion exchanger protein SLC26A3 (IC50=360 nM). SLC26A3 belongs to solute carrier (SLC) proteins, and the SLC26 family. SLC26 family has broad anion specificity for chloride, bicarbonate, sulfate and oxalate. SLC26A3 down-regulates in adenoma, DRA, involves in in intestinal absorption of chloride and oxalate. The loss of SLC26A3 function mutations is associated with chloride-losing diarrhea[1].
WZB117
WZB117 is a glucose transporter 1 (Glut1) inhibitor, which downregulates glycolysis, induces cell-cycle arrest, and inhibits cancer cell growth in vitro and in vivo.
(1s,13s)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
methyl (1s,4s,8r,10s,11e,14s)-11-[(4-hydroxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
[(3as,4r,9r,10as)-5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
C9H16N6O8S (368.07502960000005)
1-hydroxy-3-(4-hydroxyphenyl)-4-methoxy-6-(4-methoxyphenyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
(1r,13r)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
6-{[2-(2,4-dihydroxy-6-methylbenzoyl)-3-hydroxyphenyl]methyl}-4-hydroxypyran-2-one
(17s)-7,20-dihydroxy-17-(2-hydroxypropan-2-yl)-10,12,16-trioxapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-2-one
3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,7,15-triol
(1r,2s,6br,12bs)-1,2,4,6b,10-pentahydroxy-2,7,8,12b-tetrahydro-1h-perylene-3,9-dione
1,3,7,8-tetrahydroxy-11-(2-methylprop-1-en-1-yl)-11h-5,10-dioxatetraphen-12-one
(5r,6r)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrotetraphene-7,12-dione
(4'r,5's,6's,7's)-5,5',6',7',9'-pentahydroxy-3'-oxaspiro[naphthalene-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),8',10'-trien-4-one
7,8-dimethoxy-3,4-dihydro-3',10'-dioxaspiro[1,5-benzodioxepine-2,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8',11'-tetraen-5'-one
(2e)-3-chloro-3-{5-hydroxy-3-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-7-methyl-4-oxochromen-2-yl}prop-2-enoic acid
11-(3,4-dihydroxyphenyl)-10,13-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4,5-diol
(3r,3as,6r,6ar)-3-(2h-1,3-benzodioxol-4-yl)-6-(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
3-[4-(acetyloxy)phenyl]-7-methoxy-4-oxochromen-5-yl acetate
2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
7,9,20-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione
5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9h-pyrano[2,3-h]chromene-4,10-dione
6aα,12aα-12a-hydroxyelliptone
{"Ingredient_id": "HBIN012151","Ingredient_name": "6a\u03b1,12a\u03b1-12a-hydroxyelliptone","Alias": "NA","Ingredient_formula": "C20H16O7","Ingredient_Smile": "COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3=O)C=CC5=C4C=CO5)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-aptosimon
{"Ingredient_id": "HBIN016532","Ingredient_name": "(?)-aptosimon","Alias": "NA","Ingredient_formula": "C20H16O7","Ingredient_Smile": "C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=CC6=C(C=C5)OCO6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1537","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,13-dichloro-6,14-dimethoxy-4,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
1',6'-dihydroxy-10'a-(methylsulfanyl)-3h,10'h-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indol]-4'-one
C19H16N2O4S (368.08307360000003)
(1r,17s)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
(1r,17r)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
(18s,19r)-6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(10),4(9),5,7,14,20-heptaen-11-one
(2e)-3-(2h-1,3-benzodioxol-5-yl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
3-(2h-1,3-benzodioxol-5-yl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
3,7,9-trihydroxy-17-methyl-16,18-dioxapentacyclo[15.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
1-[(2r)-6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2-(6-hydroxy-2h-1,3-benzodioxol-5-yl)ethane-1,2-dione
(2e)-3-chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid
5,7-dihydroxy-8-[(7-methoxy-2-oxochromen-8-yl)oxy]chromen-2-one
(1r,13s)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
5,13-dichloro-6,14-dihydroxy-4,7,12,15-tetramethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
7,8,10-trihydroxy-3-methoxy-1-methyl-5-oxatetracene-6,11,12-trione
13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
(4r,7r,9r)-2,7,17,19-tetrahydroxy-10-oxapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2,11,15,17,19-hexaene-14,21-dione
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxole-5-carbonyl)oxolan-2-one
(3r,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxole-5-carbonyl)oxolan-2-one
7-(acetyloxy)-2-(4-methoxyphenyl)-4-oxochromen-5-yl acetate
(1r,13r)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
(2s)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
2-({6-chloro-5,7-dihydroxy-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)-5-hydroxyoxolan-2-one
9-(3,4-dihydroxyphenyl)-4-hydroxy-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
3,7,9-trihydroxy-1-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione
(1r,2r,12as,12br)-1,2,4,9,12a-pentahydroxy-2,11,12,12b-tetrahydro-1h-perylene-3,10-dione
(1r,3r,5r,6s,7s,8s)-6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-11-one
(1s,13s)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
(9s)-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9h-pyrano[2,3-h]chromene-4,10-dione
3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-hydroxy-2-oxopyrimidine-4-carboxylic acid
C10H13N2O11P (368.02569580000005)
(11s)-1,3,8,9-tetrahydroxy-11-(2-methylprop-1-en-1-yl)-11h-5,10-dioxatetraphen-12-one
1,4,6b,7,10-pentahydroxy-2,7,8,12b-tetrahydro-1h-perylene-3,9-dione
(1s,2r,4r,5r,12r,15s)-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,7,15-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,6r,7r,7as)-6-chloro-5,7-dihydroxy-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3e,4r,5r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)-5-hydroxyoxolan-2-one
3-[(4,6-dihydroxy-2-oxochromen-3-yl)methyl]-4,6-dihydroxychromen-2-one
16-methoxy-20-oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-15-yl acetate
2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaene-6,8,11-triol
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxochromen-7-yl)oxy]oxane-2-carboxylate
3,6-bis(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
4a,7,8-trihydroxy-3-methyl-1,6-dioxo-5,12b-dihydro-4h-tetraphene-2-carboxylic acid
(1s,17s)-3,7,9-trihydroxy-17-methyl-16,18-dioxapentacyclo[15.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
7-chloro-6'-hydroxy-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-11-one
3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-4-one
[(3as,4r,10as)-5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
C9H16N6O8S (368.07502960000005)
(1r,17s,20r)-7,9,20-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxochromen-7-yl)oxy]oxane-2-carboxylate
(7s)-16,18-dihydroxy-7-(2-hydroxypropan-2-yl)-6,11,13-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]icosa-1(12),2(10),3,5(9),14,16,18-heptaen-20-one
(3e,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)-4-hydroxyoxolan-2-one
3-chloro-3-[5-hydroxy-3-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
8,11-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-6-one
1-[6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2-(6-hydroxy-2h-1,3-benzodioxol-5-yl)ethane-1,2-dione
(2s)-7,8-dimethoxy-3,4-dihydro-3',10'-dioxaspiro[1,5-benzodioxepine-2,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8',11'-tetraen-5'-one
(5r)-8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methyl-6-oxatetraphene-7,12-dione
(1r,3s,5s,6r,7r,8r)-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaene-6,8,11-triol
[(3as,4r,9s,10as)-5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
C9H16N6O8S (368.07502960000005)
(3e)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)-4-hydroxyoxolan-2-one
(4s,7r,9r)-2,7,17,19-tetrahydroxy-10-oxapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2,11,15,17,19-hexaene-14,21-dione
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(methoxycarbonyl)pentanedioic acid
1,2,4,9,12a-pentahydroxy-2,11,12,12b-tetrahydro-1h-perylene-3,10-dione
(1s)-6-chloro-5-hydroxy-1-methyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),5,10,13(20),15-hexaene-7,8,12-trione
C20H13ClO5 (368.04514780000005)
(2r,3r)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(methoxycarbonyl)pentanedioic acid
5,7,14-trihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
(13r)-6,8,17,19-tetrahydroxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
(3s,4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxole-5-carbonyl)oxolan-2-one
2-(2-carboxy-3-hydroxy-5-methylphenoxy)-4-chloro-3-hydroxy-5-methoxybenzoic acid
(2s)-7-chloro-6'-hydroxy-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
2-[7-(acetyloxy)-4-oxochromen-3-yl]-5-methoxyphenyl acetate
2-[3-chloro-2,4-dihydroxy-6-(methoxycarbonyl)phenoxy]-6-hydroxy-4-methylbenzoic acid
2,5-bis(2h-1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one
methyl (1s,4s,8r,10s,11z,14s)-11-[(4-hydroxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
(1s,12s,12ar,12bs)-1,4,9,12,12a-pentahydroxy-2,11,12,12b-tetrahydro-1h-perylene-3,10-dione
3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-6-oxatetraphene-7,12-dione
3-chloro-2,5-dihydroxy-2,3-dihydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
C20H13ClO5 (368.04514780000005)
(4s,8r)-18-hydroxy-2,16-dimethoxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
9-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one
methyl 2-(4,5-dihydroxy-9,10-dioxo-3-propanoylanthracen-2-yl)acetate
(1r,17r)-3,7,9-trihydroxy-1-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione
(8s)-3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-4-one
3-chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid
(2s,5'r,6's)-7-chloro-5'-hydroxy-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
(5s,6s)-5,16-dihydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one
(1r,12s,12as,12br)-1,4,9,12,12a-pentahydroxy-2,11,12,12b-tetrahydro-1h-perylene-3,10-dione
(1r,17r)-3,7,9-trihydroxy-17-methyl-16,18-dioxapentacyclo[15.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
(1s,6br,7s,12bs)-1,4,6b,7,10-pentahydroxy-2,7,8,12b-tetrahydro-1h-perylene-3,9-dione
(1s)-7-chloro-8-hydroxy-1-methyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),7,10,13(20),15-hexaene-5,6,12-trione
C20H13ClO5 (368.04514780000005)
(1s,3r,5s,7r,8s,11r)-8,11-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-6-one
(3r)-4,6,8-trihydroxy-3-(3-oxobutyl)-2h,3h-anthra[2,3-b]furan-5,10-dione
1,4,9,12,12a-pentahydroxy-2,11,12,12b-tetrahydro-1h-perylene-3,10-dione
8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methyl-6-oxatetraphene-7,12-dione
3-[4-(acetyloxy)phenyl]-5-methoxy-4-oxochromen-7-yl acetate
2,7,17,19-tetrahydroxy-10-oxapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2,11,15,17,19-hexaene-14,21-dione
methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methylphenoxy)-4-methoxybenzoate
(3s,3ar,6s,6as)-3,6-bis(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2s,10'ar)-1',6'-dihydroxy-10'a-(methylsulfanyl)-3h,10'h-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indol]-4'-one
C19H16N2O4S (368.08307360000003)