Exact Mass: 512.093655

{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

I-Bop

7-{3-[3-hydroxy-4-(4-iodophenoxy)but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl}hept-5-enoic acid

C23H29IO5 (512.1059654)

Isovitexin 7-O-sulfate

5,7,4-Trihydroxyflavone 6-C-glucoside 7-O-sulfate

3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid

Indocarbazostatin D

C27H20N4O7 (512.133193)

Tuberculatin

9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one

Diphyllin apioside is a natural product found in Justicia patentiflora, Garcinia subelliptica, and other organisms with data available.

Galangin 3-O-beta-D-glucoside-8-sulfonate

(-)-Galangin 3-O-beta-D-glucoside-8-sulfonate

Quercetin pentaacetate

Sulfemodin-8-O-??-D-glucoside

apigenin 7-beta-D-glucopyranosyl-2-sulfate|thalassiolin C

CHEMBL516831

Acetylcretanin

C22H24O14 (512.1166003999999)

1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose

C22H24O14 (512.1166003999999)

C29H20O9

Napyradiomycin C2

C25H27Cl3O5 (512.0923982)

(-)-hopeanol|hopeanol

3,5-Dichloro-2-O-methylanziaic acid

4,5-Di-O-methylhiascic acid

6-sulfooxy-chrysin 7-glucopyranoside

O鈥樎?Sulfate-Afzelin

3,5-Dichloranziasaeuremethylester

5,6,7,3,4-pentaacetoxyflavone

7-(3,5-dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,2,6,8-tetrol

C24H16O13 (512.0590886)

(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin

3-methoxyumbilicaric acid|3-Methoxyumilicaric acid

alpha-Oxo-2,4,6-trihydroxy-3-[2-(3,4-dihydroxyphenyl)-4-oxo-5,7-dihydroxy-2,3-epoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzeneacetic acid methyl ester

C24H16O13 (512.0590886)

daurinol beta-D-glucoside|Daurinol glucoside

T988|T988 A|T988A

C23H20N4O4S3 (512.064664)

Quercetin acetate

Peracetate Quercetin

Quercetin pentaacetate

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.197 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.201

3,5-Dichloro-2-O-methylanziaic acid

"3,5-Dichloro-2-O-methylanziaic acid"

Cys Glu Met Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Cys Met Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Cys Met Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

Glu Cys Met Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Glu Met Cys Met

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Glu Met Met Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Met Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Met Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

Met Glu Cys Met

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Met Glu Met Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Met Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

Met Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H26BrClN2O3S (512.0535936000001)

I-Bop

[1S-[1α,2α(Z),3β(1E,3S*),4α]]-7-[3-[3-hydroxy-4-(4-iodophenoxy)-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

C23H29IO5 (512.1059654)

PU-H71

9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-

C18H21IN6O2S (512.0491396)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents

Arbidol HCl

BMS-777607

N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

C25H19ClF2N4O4 (512.1062828)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

3,3-diethyl-2,2-oxathiacarbocyanine iodide

C25H25IN2O2 (512.0960699999999)

1,1-Diheptyl-4,4-bipyridinium dibromide

C24H38Br2N2 (512.1401548)

9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-

C30H16N4O5 (512.1120645999999)

2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE

C24H16ClF3N6O2 (512.0975302)

decamethonium iodide

C16H38I2N2 (512.1124368000001)

BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE

C20H26BF4IO2 (512.1006644)

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pyridine-3,5-dicarbonitrile

C22H17ClN6O5S (512.0669622)

[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate

C24H24N4O7S (512.1365634)

Vat Red 31

C30H16N4O5 (512.1120645999999)

Trovafloxacin Mesylate

C21H19F3N4O6S (512.0977350000001)

A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors

1,1,2,2-tetrakis(4-nitrophenyl)ethene

C26H16N4O8 (512.0968096)

Uranium tricarbide

U2C3 (512.101572)

3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate

C14H11F15O3 (512.0468635999999)

Ponceau SS

C22H16N4O7S2 (512.0460386)

5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

C21H19Cl2FN4O4S (512.0488046)

C.I. Acid Red 73, disodium salt

C22H16N4O7S2 (512.0460386)

Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester

C23H28O11S (512.1352258000001)

dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose

C16H22N2O13P2-2 (512.0597102)

5-O-{[(1S)-1-carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

C19H19N3O12P-3 (512.0706324)

(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

C23H29IO5 (512.1059654)

2-[(2-Hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzene-1-sulfonic acid

C22H16N4O7S2 (512.0460386)

N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide

C22H20N6O5S2 (512.093655)

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

C23H24N6O4S2 (512.1300384)

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C23H20N4O4S3 (512.064664)

ustilaginoidin A dianion

C28H16O10-2 (512.0743436)

(4-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

C25H21ClN2O6S (512.0808796)

ustilaginoidin A(2-)

C28H16O10 (512.0743436)

A phenolate anion that is the conjugate base of ustilaginoidin A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5. It is the major microspecies at pH 7.3.

dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-)

C16H22N2O13P2 (512.0597102)

A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose; major species at pH 7.3.

ST 23:6;O8;S

bPiDDB

C24H38Br2N2 (512.1401548)

bPiDDB is a potent nAChR antagonist. bPiDDB potently (IC50=2 nM) inhibits nicotine-evoked striatal dopamine (DA) release through an interaction with α6β2-containing nAChRs[1].

GSK-25

C24H16Cl2F2N6O (512.073065)

GSK-25 is a potent, selective and orally bioavailable ROCK1 inhibitor (IC50=7 nM). GSK-25 maintains good selectivity against a panel of 31 kinases (>100 fold), as well as RSK1 and p70S6K (RSK1: IC50=398 nM, p70S6K: IC50=1 μM). GSK-25 inhibits P450 profile (IC50s of 2.5, 5.2, 2.5 μM for CYP2C9, CYP2D6, CYP3A4, respectively)[1].

(2s,3s)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C21H24N2O9S2 (512.0923174000001)

(1r,3s,4s,7r,8s,12s,13s)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione

methyl (1's,9'r)-3',5',11',13'-tetrahydroxy-9'-(4-hydroxyphenyl)-4,8'-dioxospiro[cyclohexane-1,16'-tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadecan]-2,2',4',5,6',10',12',14'-octaene-1'-carboxylate

C21H24N2O9S2 (512.0923174000001)

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0¹,¹⁰.0³,⁸]heptadec-5-ene-11,16-dione

methyl 3',5',11',13'-tetrahydroxy-9'-(4-hydroxyphenyl)-4,8'-dioxospiro[cyclohexane-1,16'-tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadecan]-2,2',4',5,6',10',12',14'-octaene-1'-carboxylate