Exact Mass: 500.110727
Exact Mass Matches: 500.110727
Found 277 metabolites which its exact mass value is equals to given mass value 500.110727,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nocardicin A
C23H24N4O9 (500.15432139999996)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Nocardicin B
C23H24N4O9 (500.15432139999996)
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
C22H28O11S (500.13522580000006)
Lyoniresinol 9-sulfate is found in green vegetables. Lyoniresinol 9-sulfate is a constituent of the roots of Polygonum cuspidatum (Japanese knotweed).
(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
C26H29ClN2O4S (500.15364640000007)
Nocardicin A
C23H24N4O9 (500.15432139999996)
Puerarin 4,6-diacetate
C25H24O11 (500.13185539999995)
Apigenin 7-(6-crotonylglucoside)
C25H24O11 (500.13185539999995)
Epigallocatechin 5,3,5-trimethyl ether 3-O-gallate
C25H24O11 (500.13185539999995)
1,4,5-trihydroxynaphthalene 1,4-di-O-beta-D-glucopyranoside|5-hydroxynaphthalene-1,4-di-O-beta-D-glucopyranoside|juglanoside F
Penta-Ac-2,3,4,4,5-Pentahydroxyflavan
C25H24O11 (500.13185539999995)
3-(2,4-di-O-acetyl-alpha-L-rhamnopyranosyl)emodin
C25H24O11 (500.13185539999995)
3-(3,4-di-O-acetyl-alpha-L-rhamnopyranosyl)emodin
C25H24O11 (500.13185539999995)
(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
C25H24O11 (500.13185539999995)
Guibourtinidol-(4alpha->2)-3,5,3,4-tetrahydroxystilbene
(+)-gallocatechin-8-S-beta-D-glucopyranoside|excoecariphenol B
rel-(2R,3R)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(4-O-sulfo-alpha-L-arabinopyranosyl)oxy]-4H-1-benzopyran-4-one|trans-2,3-dihydrokaempferol 3-O-(4-O-sulfo)-alpha-L-arabinopyranoside
C20H20O13S (500.06245900000005)
(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
C24H20O12 (500.09547200000003)
6,7-dihydroxy-3-methoxy-8-[2-oxo-2H-1-benzopyran-7-(O-beta-D-glucopyranosyl)-8-yl]-2H-1-benzopyran-2-one
C24H20O12 (500.09547200000003)
3-O-p-coumaroyl-5-O-caffeoylquinic acid|3-p-(E)-coumaroyl-5-(E)-caffeoylquinic acid
C25H24O11 (500.13185539999995)
1-O-trans-caffeoyl-5-O-trans-p-coumaroylquinic acid
C25H24O11 (500.13185539999995)
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
Penta-Ac-(-)-3,4,4,5,7-Pentahydroxyflavan
C25H24O11 (500.13185539999995)
7-O-[beta-D-glucopyranosyl]-6-hydroxy-3-(2-oxo-2H-1-benzopyran-7-yl)-2H-1-benzopyran-2-one
C24H20O12 (500.09547200000003)
(2R,3R)-7,4-dihydroxy-5,3,5-trimethoxyflavan-3-O-gallate
C25H24O11 (500.13185539999995)
5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside
C24H20O12 (500.09547200000003)
Myrtillin
C21H21ClO12 (500.07214960000005)
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
C21H21ClO12 (500.07214960000005)
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
C24H20O12 (500.09547200000003)
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]
C24H20O12 (500.09547200000003)
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]
C24H20O12 (500.09547200000003)
Cys Cys Glu Phe
Cys Cys Phe Glu
Cys Asp Thr Tyr
C20H28N4O9S (500.15769180000007)
Cys Asp Tyr Thr
C20H28N4O9S (500.15769180000007)
Cys Glu Cys Phe
Cys Glu Phe Cys
Cys Glu Ser Tyr
C20H28N4O9S (500.15769180000007)
Cys Glu Tyr Ser
C20H28N4O9S (500.15769180000007)
Cys Phe Cys Glu
Cys Phe Glu Cys
Cys Ser Glu Tyr
C20H28N4O9S (500.15769180000007)
Cys Ser Tyr Glu
C20H28N4O9S (500.15769180000007)
Cys Thr Asp Tyr
C20H28N4O9S (500.15769180000007)
Cys Thr Tyr Asp
C20H28N4O9S (500.15769180000007)
Cys Tyr Asp Thr
C20H28N4O9S (500.15769180000007)
Cys Tyr Glu Ser
C20H28N4O9S (500.15769180000007)
Cys Tyr Ser Glu
C20H28N4O9S (500.15769180000007)
Cys Tyr Thr Asp
C20H28N4O9S (500.15769180000007)
Asp Cys Thr Tyr
C20H28N4O9S (500.15769180000007)
Asp Cys Tyr Thr
C20H28N4O9S (500.15769180000007)
Asp Asp Asp His
Asp Asp His Asp
Asp His Asp Asp
Asp Thr Cys Tyr
C20H28N4O9S (500.15769180000007)
Asp Thr Tyr Cys
C20H28N4O9S (500.15769180000007)
Asp Tyr Cys Thr
C20H28N4O9S (500.15769180000007)
Asp Tyr Thr Cys
C20H28N4O9S (500.15769180000007)
Glu Cys Cys Phe
Glu Cys Phe Cys
Glu Cys Ser Tyr
C20H28N4O9S (500.15769180000007)
Glu Cys Tyr Ser
C20H28N4O9S (500.15769180000007)
Glu Phe Cys Cys
Glu Ser Cys Tyr
C20H28N4O9S (500.15769180000007)
Glu Ser Tyr Cys
C20H28N4O9S (500.15769180000007)
Glu Tyr Cys Ser
C20H28N4O9S (500.15769180000007)
Glu Tyr Ser Cys
C20H28N4O9S (500.15769180000007)
Phe Cys Cys Glu
Phe Cys Glu Cys
Phe Glu Cys Cys
His Asp Asp Asp
Ser Cys Glu Tyr
C20H28N4O9S (500.15769180000007)
Ser Cys Tyr Glu
C20H28N4O9S (500.15769180000007)
Ser Glu Cys Tyr
C20H28N4O9S (500.15769180000007)
Ser Glu Tyr Cys
C20H28N4O9S (500.15769180000007)
Ser Tyr Cys Glu
C20H28N4O9S (500.15769180000007)
Ser Tyr Glu Cys
C20H28N4O9S (500.15769180000007)
Thr Cys Asp Tyr
C20H28N4O9S (500.15769180000007)
Thr Cys Tyr Asp
C20H28N4O9S (500.15769180000007)
Thr Asp Cys Tyr
C20H28N4O9S (500.15769180000007)
Thr Asp Tyr Cys
C20H28N4O9S (500.15769180000007)
Thr Tyr Cys Asp
C20H28N4O9S (500.15769180000007)
Thr Tyr Asp Cys
C20H28N4O9S (500.15769180000007)
Tyr Cys Asp Thr
C20H28N4O9S (500.15769180000007)
Tyr Cys Glu Ser
C20H28N4O9S (500.15769180000007)
Tyr Cys Ser Glu
C20H28N4O9S (500.15769180000007)
Tyr Cys Thr Asp
C20H28N4O9S (500.15769180000007)
Tyr Asp Cys Thr
C20H28N4O9S (500.15769180000007)
Tyr Asp Thr Cys
C20H28N4O9S (500.15769180000007)
Tyr Glu Cys Ser
C20H28N4O9S (500.15769180000007)
Tyr Glu Ser Cys
C20H28N4O9S (500.15769180000007)
Tyr Ser Cys Glu
C20H28N4O9S (500.15769180000007)
Tyr Ser Glu Cys
C20H28N4O9S (500.15769180000007)
Tyr Thr Cys Asp
C20H28N4O9S (500.15769180000007)
Tyr Thr Asp Cys
C20H28N4O9S (500.15769180000007)
EUK 118
C22H25MnN2O8 (500.09912899999995)
KN-93
C26H29ClN2O4S (500.15364640000007)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Orcein
D004396 - Coloring Agents
Lyoniresinol 9'-sulfate
C22H28O11S (500.13522580000006)
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
C23H27Cl3N2O4 (500.10363120000005)
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].
Pitavastatin calcium
C25H23FNO4.1/2 Ca (500.08628500000003)
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
C20H13F9N2O3 (500.07824159999996)
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
C26H32N2S4 (500.14482319999996)
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].
6-Hydroxy Warfarin β-D-Glucuronide
C25H24O11 (500.13185539999995)
Uredofos
C19H25N4O6PS2 (500.09530800000005)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
8-BroMo-5-O-(4-cyanobenzyl)-2,3-O-isopropylidene adenosine
C21H21BrN6O4 (500.08075660000003)
5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYLPYRAZOLE-3-CARBOXYLICACID
C27H34BrO2P (500.14796540000003)
(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.
CMP-5-3-(N-acetyl-N-hydroxy)aminopropylphosphonate
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
C23H24N4O9 (500.15432139999996)
(3S,alphaR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]-[(Z)-hydroxyimino]acetyl]amino]-alpha-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid
C23H24N4O9 (500.15432139999996)
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
C24H20O12 (500.09547200000003)
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
C23H21ClN4O5S (500.09211260000006)
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
C22H19F3N8OS (500.13545600000003)
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
C22H23F3N2O6S (500.12288540000003)
N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
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
C22H23F3N2O6S (500.12288540000003)
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
C22H23F3N2O6S (500.12288540000003)
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
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
C22H23F3N2O6S (500.12288540000003)
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
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
C22H23F3N2O6S (500.12288540000003)
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
C23H30ClFN2O5S (500.15478920000004)
(beta-D-glucopyranosyloxymethyl)deoxyuridine 5-monophosphate
C16H25N2O14P (500.10433600000005)
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
C23H24N4O9 (500.15432139999996)
6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C24H20O12 (500.09547200000003)
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
C24H20O12 (500.09547200000003)
6-Hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
C24H20O12 (500.09547200000003)
Isonocardicin A
C23H24N4O9 (500.15432139999996)
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
C23H24N4O9 (500.15432139999996)
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
(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
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
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
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
C25H24O11 (500.13185539999995)
(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
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"}
methyl (3s)-3-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
C25H24O11 (500.13185539999995)
(1z,2s,3s)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(2r,3r,4r)-4-{2-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dihydroxyphenyl}-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol
(2r)-2-amino-4-{4-[(e)-{[(3s)-1-[(r)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
C23H24N4O9 (500.15432139999996)
(2s,3s,4s,5r,6s)-3-(acetyloxy)-6-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-5-hydroxy-2-methyloxan-4-yl acetate
C25H24O11 (500.13185539999995)
(2s,3r,4s,5s,6r)-2-[(4-hydroxy-5-{[(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
4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
2,6-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}benzoic acid
(2s)-2-amino-4-{4-[(z)-{[(3s)-1-[(s)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
C23H24N4O9 (500.15432139999996)
(2s,3r,4r,5s,6s)-3-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-5-hydroxy-6-methyloxan-4-yl acetate
C25H24O11 (500.13185539999995)
(2s,3r,4s,5s,6r)-2-[(5-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
7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxychromen-2-one
6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-phenylpropanoate
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
4-{2-[2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dihydroxyphenyl}-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol
2,4-dihydroxy-7-(4-hydroxy-2-methoxy-6-methylphenyl)-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
C25H24O11 (500.13185539999995)
(1r,4s,5r,6s,7r,8s,9s)-4,5-dihydroxy-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxybenzoate
(2r,3s)-3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2h-1-benzopyran-5-yl acetate
C25H24O11 (500.13185539999995)
4,5-dihydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxybenzoate
methyl (3r)-3-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
C25H24O11 (500.13185539999995)
3-(acetyloxy)-6-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-5-hydroxy-2-methyloxan-4-yl acetate
C25H24O11 (500.13185539999995)
(1e,2s,3s)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
5-[11-(2,4-dihydroxyphenyl)-12-(3,5-dihydroxyphenyl)-8-hydroxy-5,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,3,6,8-tetraen-4-yl]benzene-1,3-diol
(11r,12s)-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
6-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-2-one
2-{[(1,3-dimethyl-2,4-dioxopteridin-6-yl)(hydroxy)methylidene]amino}-n-[2-(methoxycarbonyl)phenyl]-4-(methylsulfanyl)butanimidic acid
(4s,5s,11r,12s)-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
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate
C25H24O11 (500.13185539999995)
6-methoxy-7-{[(2s,3r,4s,5s)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one
6-(3,5-dihydroxyphenyl)-5,12-bis(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-triene-8,11-diol
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoate
C25H24O11 (500.13185539999995)
(2r,3r)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
C25H24O11 (500.13185539999995)
(2s)-2-{[(1,3-dimethyl-2,4-dioxopteridin-6-yl)(hydroxy)methylidene]amino}-n-[2-(methoxycarbonyl)phenyl]-4-(methylsulfanyl)butanimidic acid
(5r,6r,11s,12r)-6-(3,5-dihydroxyphenyl)-5,12-bis(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-triene-8,11-diol
(2r,3r)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
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
(1r,3r,4s,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
C25H24O11 (500.13185539999995)
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
(8s,9r)-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
(1s,4ar,5s,6r,7s,7as)-6,7-dihydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
(2r)-2-amino-4-{4-[(z)-{[(3s)-1-[(r)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
C23H24N4O9 (500.15432139999996)
5-{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
2-amino-4-{4-[(z)-({1-[carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}-c-hydroxycarbonimidoyl)(hydroxyimino)methyl]phenoxy}butanoic acid
C23H24N4O9 (500.15432139999996)
2-amino-4-{4-[({1-[carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}-c-hydroxycarbonimidoyl)(hydroxyimino)methyl]phenoxy}butanoic acid
C23H24N4O9 (500.15432139999996)
2-[(4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-3-methyloxolan-2-yl]oxy}methyl)-3,4,5-trihydroxy-3-methyloxan-2-yl]oxy}-6-hydroxychromen-2-one
(2s,3r,4r,5r,6s)-5-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-4-hydroxy-6-methyloxan-3-yl acetate
C25H24O11 (500.13185539999995)
(1r,2s,3e)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,2-dihydroindene-5,6-diol
(2r,3r)-3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2h-1-benzopyran-5-yl acetate
C25H24O11 (500.13185539999995)
(8r,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
3-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-5-hydroxy-6-methyloxan-4-yl acetate
C25H24O11 (500.13185539999995)
2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
2-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2,6-dihydroxy-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}benzoic acid
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
C25H24O11 (500.13185539999995)
3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2h-1-benzopyran-5-yl acetate
C25H24O11 (500.13185539999995)