Exact Mass: 500.1213
Exact Mass Matches: 500.1213
Found 321 metabolites which its exact mass value is equals to given mass value 500.1213
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nocardicin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester
Nocardicin B
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Orcein
Once used as a food colouring but now banned throughout the EC Cudbear is a dye extracted from orchil lichens that produces colours in the purple range. It can be used to dye wool and silk, without the use of mordant. Cudbear was the first dye to be invented in modern times, and one of the few dyes to be credited to a named individual. Orcinol is extracted from archil lichen, Rocella tinctoria. It is then converted to orcein by ammonia and air. Orcein is a reddish-brown dye, orchil is a purple-blue dye. Orcein is also used as a stain in microscopy to visualize elastic fibers,Hepatitis B surface antigens and copper associated proteins. It is a mixture of phenoxazone derivates - hydroxyorceins, aminoorceins, and aminoorceinimines.
Lyoniresinol 9'-sulfate
Lyoniresinol 9-sulfate is found in green vegetables. Lyoniresinol 9-sulfate is a constituent of the roots of Polygonum cuspidatum (Japanese knotweed).
S)-2-(5(((1,2-Dihydro-3-methyl-1-oxobenzo(F)quinazolin-9-YL)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
Baohuoside II
(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
Nocardicin A
Simotinib
Ikarisoside A
Baohuoside II is a natural product found in Epimedium grandiflorum, Epimedium diphyllum, and other organisms with data available. IKarisoside A (Icarisoside-A) is a natural flavonol glycoside and has anti-inflammatory properties. IKarisoside A (Icarisoside-A) is a natural flavonol glycoside and has anti-inflammatory properties.
Epigallocatechin 5,3,5-trimethyl ether 3-O-gallate
1,4,5-trihydroxynaphthalene 1,4-di-O-beta-D-glucopyranoside|5-hydroxynaphthalene-1,4-di-O-beta-D-glucopyranoside|juglanoside F
(E)-2-(6-(bis(4-hydroxyphenyl)methylene)-5-(4-hydroxyphenyl)cyclohexa-2,4-dienylidene)-1-(4-hydroxyphenyl)ethanone|selaginellin G
(betaS,2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-beta-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-6-propanoic acid methyl ester|6-[(1S)-3-methoxy-3-oxo-1-(2,4,5-trihydroxyphenyl)propyl]catechin
5-[(1E)-2-(4beta-D-glucopyranosyloxyphenyl)ethenyl]-4,7-dimethoxy-3-methyl-2H-1-benzopyran-2-one
Guibourtinidol-(4alpha->2)-3,5,3,4-tetrahydroxystilbene
(+)-gallocatechin-8-S-beta-D-glucopyranoside|excoecariphenol B
(6-trans-p-coumaroyl)-3-O-beta-D-glucopyranosyl-(5-acetyl)-2-deoxy-D-ribonic acid
6-(beta-D-glucopyranosyl)oxy-7-hydroxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzopyran-2-one|daphneretusin A
6,7-dihydroxy-3-methoxy-8-[2-oxo-2H-1-benzopyran-7-(O-beta-D-glucopyranosyl)-8-yl]-2H-1-benzopyran-2-one
3-O-p-coumaroyl-5-O-caffeoylquinic acid|3-p-(E)-coumaroyl-5-(E)-caffeoylquinic acid
1-O-trans-caffeoyl-5-O-trans-p-coumaroylquinic acid
2,4,6-trihydroxybenzoic acid-4-O-2,3,4,6-tetraacetylglucoside
1,4,5-trihydroxynaphthalene 1,5-di-O-beta-D-glucopyranoside|juglanoside G
7-O-[beta-D-glucopyranosyl]-6-hydroxy-3-(2-oxo-2H-1-benzopyran-7-yl)-2H-1-benzopyran-2-one
(2R,3R)-7,4-dihydroxy-5,3,5-trimethoxyflavan-3-O-gallate
5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside
Myrtillin
Delphinidin-3-glucoside is an anthocyanidin glycoside. See also: Myrciaria dubia fruit (part of). Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) is an active anthocyanin found in Hibiscus sabdariffa extract. Delphinidin 3-glucoside chloride induces a pro-apoptotic effect in B cell chronic lymphocytic leukaemia (B CLL)[1]. Delphinidin 3-glucoside chloride exerts phytoestrogen activity by binding to ERβ, with an IC50 of 9.7 μM[2]. Delphinidin-3-O-glucoside chloride inhibits EGFR with an IC50 of 2.37 μM[3]. Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) is an active anthocyanin found in Hibiscus sabdariffa extract. Delphinidin 3-glucoside chloride induces a pro-apoptotic effect in B cell chronic lymphocytic leukaemia (B CLL)[1]. Delphinidin 3-glucoside chloride exerts phytoestrogen activity by binding to ERβ, with an IC50 of 9.7 μM[2]. Delphinidin-3-O-glucoside chloride inhibits EGFR with an IC50 of 2.37 μM[3]. Delphinidin 3-glucoside chloride exhibits antitumor effects through pAKT/IRF1/HOTAIR pathway. Delphinidin 3-glucoside chloride exhibits efficacy against oxidative stress, inhibits platelet activation and endothelial dysfunction[4][5][6]. Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) is an active anthocyanin found in Hibiscus sabdariffa extract. Delphinidin 3-glucoside chloride induces a pro-apoptotic effect in B cell chronic lymphocytic leukaemia (B CLL)[1]. Delphinidin 3-glucoside chloride exerts phytoestrogen activity by binding to ERβ, with an IC50 of 9.7 μM[2]. Delphinidin-3-O-glucoside chloride inhibits EGFR with an IC50 of 2.37 μM[3].
Empetrin
Haploperoside C
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.542
6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one
6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid
6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one
6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000846875]
6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
Cys Cys Glu Phe
Cys Cys Phe Glu
Cys Asp Thr Tyr
Cys Asp Tyr Thr
Cys Glu Cys Phe
Cys Glu Phe Cys
Cys Glu Ser Tyr
Cys Glu Tyr Ser
Cys Phe Cys Glu
Cys Phe Glu Cys
Cys Ser Glu Tyr
Cys Ser Tyr Glu
Cys Thr Asp Tyr
Cys Thr Tyr Asp
Cys Tyr Asp Thr
Cys Tyr Glu Ser
Cys Tyr Ser Glu
Cys Tyr Thr Asp
Asp Cys Thr Tyr
Asp Cys Tyr Thr
Asp Asp Asp His
Asp Asp His Asp
Asp His Asp Asp
Asp Thr Cys Tyr
Asp Thr Tyr Cys
Asp Tyr Cys Thr
Asp Tyr Thr Cys
Glu Cys Cys Phe
Glu Cys Phe Cys
Glu Cys Ser Tyr
Glu Cys Tyr Ser
Glu Phe Cys Cys
Glu Ser Cys Tyr
Glu Ser Tyr Cys
Glu Tyr Cys Ser
Glu Tyr Ser Cys
Phe Cys Cys Glu
Phe Cys Glu Cys
Phe Glu Cys Cys
His Asp Asp Asp
Ser Cys Glu Tyr
Ser Cys Tyr Glu
Ser Glu Cys Tyr
Ser Glu Tyr Cys
Ser Tyr Cys Glu
Ser Tyr Glu Cys
Thr Cys Asp Tyr
Thr Cys Tyr Asp
Thr Asp Cys Tyr
Thr Asp Tyr Cys
Thr Tyr Cys Asp
Thr Tyr Asp Cys
Tyr Cys Asp Thr
Tyr Cys Glu Ser
Tyr Cys Ser Glu
Tyr Cys Thr Asp
Tyr Asp Cys Thr
Tyr Asp Thr Cys
Tyr Glu Cys Ser
Tyr Glu Ser Cys
Tyr Ser Cys Glu
Tyr Ser Glu Cys
Tyr Thr Cys Asp
Tyr Thr Asp Cys
EUK 118
KN-93
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Orcein
D004396 - Coloring Agents
Lyoniresinol 9'-sulfate
Demeclocycline hydrochloride
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Demeclocycline hydrochloride is a tetracycline antibiotic; is an antibiotic in the treatment of Lyme disease, acne, and bronchitis.
ICI 204,448 hydrochloride
ICI-204448 is a κ-opioid agonist with limited access to the CNS, ICI-204448 can displace the binding of the kappa-opioid ligand 3H-bremazocine from guinea pig cerebellum membranes[1].
[4,5,8-triacetyloxy-6-(1-acetyloxy-4-methylpent-3-enyl)naphthalen-1-yl] acetate
Pitavastatin calcium
Pitavastatin Calcium (NK-104 hemicalcium) is a potent hydroxymethylglutaryl-CoA (HMG-CoA) reductase inhibitor. Pitavastatin Calcium (NK-104 hemicalcium) inhibits cholesterol synthesis from acetic acid with an IC50 of 5.8 nM in HepG2 cells. Pitavastatin Calcium is an efficient hepatocyte low-density lipoprotein-cholesterol (LDL-C) receptor inducer. Pitavastatin Calcium also possesses anti-atherosclerotic, anti-asthmatic, anti-osteoarthritis, antineoplastic, neuroprotective, hepatoprotective and reno-protective effects[1][2][3][8].
METHYL 2-(4-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYNYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)-3-METHOXYACRYLATE
Teclozan
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AC - Dichloroacetamide derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4-hexyl-2-(4-hexyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
Regorafenib Monohydrate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Regorafenib (BAY 73-4506) monohydrate is an orally active and potent multi-targeted receptor tyrosine kinase inhibitor, with IC50 values of 13/4.2/46, 22, 7, 1.5 and 2.5 nM for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1, respectively. Regorafenib monohydrate shows very robust antitumor and antiangiogenic activity[1].
Uredofos
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
8-BroMo-5-O-(4-cyanobenzyl)-2,3-O-isopropylidene adenosine
5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYLPYRAZOLE-3-CARBOXYLICACID
(6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester
Benzoic acid, 4-(((2,3-dihydro-6-((2-methylpropyl)(2-thiazolylsulfonyl)amino)-1H-inden-5-yl)oxy)methyl)-3-methyl-
5-hydroxy-2-methylchromone-7-O-rutinoside
A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.
1843U89;(2S)-2-(5-{[(3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)me thyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
S)-2-(5(((1,2-Dihydro-3-methyl-1-oxobenzo(F)quinazolin-9-YL)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
2-glutathion-S-yl-3-(4-nitrophenyl) propionic acid
(2S)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
(3S,alphaR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]-[(Z)-hydroxyimino]acetyl]amino]-alpha-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
7-(4-hydroxyphenyl)-11-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid
2-amino-6-O-(2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranosyl)-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
[4-[(2-Chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
2-[cyclopentyl-[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]amino]-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[[(4R,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
(beta-D-glucopyranosyloxymethyl)deoxyuridine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
7-(4-hydroxyphenyl)-11-oxo-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid
6-Hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Isonocardicin A
A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo group in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group.
beta-GlcN-4P-(1->6)-alpha-D-GlcN-1P
A 1,4-bisphosphorylated glucosamine disaccharide corresponding to the carbohydrate portion of E. coli J-5 lipid A.
isonocardicin A zwitterion
An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A.
4-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-3-isopropyl-4-(2-methylpropyl)-3,4-dihydro-2h-1-benzopyran-6,8-dicarbaldehyde
methyl (3r)-4-{6-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl}-3-hydroxy-3-methylbutanoate
(11s,12r)-6-(3,5-dihydroxyphenyl)-5,12-bis(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol
(8r,10s)-10-{[(2r,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-1,8,11-trihydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
4,7-dimethoxy-3-methyl-5-[(1e)-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]chromen-2-one
5-[(2s,3s)-7-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
(1e,2r,3r)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(2r,3s)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2s,3r,4s,5s,6r)-2-[(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-[(2r,3s)-8-formyl-5,7-dihydroxy-3-isopropyl-6-(3-methylbutanoyl)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
4-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)-3-methyloxolan-2-yl]oxy}methyl)-3,4,5-trihydroxy-3-methyloxan-2-yl]oxy}-6-hydroxychromen-2-one
(8s,9s)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-1(16),2,4,6,10(17),11,13-heptaene-3,4,6,9,12-pentol
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxychromen-2-one
3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
5-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-4-hydroxy-6-methyloxan-3-yl acetate
(4s,5s,11s,12r)-5-(3,5-dihydroxyphenyl)-4,11-bis(4-hydroxyphenyl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-triene-7,12-diol
12alpha-Hydroxyevodol
{"Ingredient_id": "HBIN000707","Ingredient_name": "12alpha-Hydroxyevodol","Alias": "12alpha-hydroxyevodol; 12\u03b1-hydroxyevodol","Ingredient_formula": "C26H28O10","Ingredient_Smile": "CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)O)C","Ingredient_weight": "500.5 g/mol","OB_score": "19.40751811","CAS_id": "NA","SymMap_id": "SMIT01183;SMIT15841","TCMID_id": "31192;10117","TCMSP_id": "MOL003976","TCM_ID_id": "19312","PubChem_id": "129317030","DrugBank_id": "NA"}
5-methylcoumarin-4-cellobioside
{"Ingredient_id": "HBIN011802","Ingredient_name": "5-methylcoumarin-4-cellobioside","Alias": "NA","Ingredient_formula": "C22H28O13","Ingredient_Smile": "CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "500.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14248","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "196631","DrugBank_id": "NA"}
5-methylcoumarin-4-gentiobioside
{"Ingredient_id": "HBIN011803","Ingredient_name": "5-methylcoumarin-4-gentiobioside","Alias": "NA","Ingredient_formula": "C22H28O13","Ingredient_Smile": "CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O","Ingredient_weight": "500.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14249","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3080987","DrugBank_id": "NA"}