Exact Mass: 412.1580688

Bisindolylmaleimide i

3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

4-Methylamino-4-de(dimethylamino)anhydrotetracycline

GF 109203X

bisindolylmaleimide i

D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

Methylpicraquassioside A

Methyl 3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

Methylpicraquassioside A is found in herbs and spices. Methylpicraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Methylpicraquassioside A is found in herbs and spices.

Isopentyl gentiobioside

2-(3-methylbutoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Isopentyl gentiobioside is found in garden tomato. Isopentyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum). Constituent of tomato cell cultures (Lycopersicon esculentum). Isopentyl gentiobioside is found in garden tomato.

Dicaffeoylputrescine

(2E)-3-(3,4-Dihydroxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enimidate

Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.

Garcimangosone C

3,6,8,11-tetrahydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one

Garcimangosone C is found in fruits. Garcimangosone C is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone C is found in fruits.

17-Hydroxypregnenolone sulfate

[(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid

17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

O-Deethylated candesartan

2-Hydroxy-1-{[2-(2H-1,2,3,4-tetrazol-5-yl)-[1,1-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate

C23H28N2O3S (412.18205380000006)

O-Deethylated candesartan is only found in individuals that have used or taken Candesartan.O-Deethylated candesartan is a metabolite of Candesartan. O-deethylated candesartan belongs to the family of Biphenyltetrazoles and Derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

(2S,3S,4S,5R)-6-(Benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[({2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-yl}(hydroxy)methylidene)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

17-Hydroxypregnenolone 3-sulfate

{14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxidanesulfonic acid

Brucein E

2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

C23H17FN6O (412.14478039999995)

Capmatinib

2-fluoro-N-methyl-4-{7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl}benzamide

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor

Fluocinolone

1,8-difluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

C21H26F2O6 (412.169736)

C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid

Nigrosin

8-amino-7-[2-(4-nitrophenyl)diazen-1-yl]-2-(2-phenyldiazen-1-yl)naphthalen-1-ol

Rhomellose

6-(hydroxymethyl)-5-methoxy-2-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane-3,4-diol

C23H28N2O3S (412.18205380000006)

3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one

5-[2-(Dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid

11b,13-Dihydrolactucopicrin

9-(Hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3ah,4H,5H,7H,9ah,9BH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetic acid

11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.

Uvarigranol C

[(1R,2R,5S,6R)-5-benzoyloxy-2-ethoxy-1,6-dihydroxycyclohex-3-en-1-yl]methyl benzoate

CID 24721471 is a natural product found in Uvaria grandiflora with data available.

Trachyspic acid

(+)-Trachyspic acid

An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.

Dracunculifoside J

Cedmiline

Purpactin C

Pteroside Q

Bruceine E

Eupachinilide C

NIGROLINEAXANTHONE O

C20H28O7S (412.15556580000003)

[3aR-[3aR,4R(2S,3S),6E,8S,10E,11aR]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid

[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid

Penicitrinol B

A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

(R)-Saclenone

(R)-5-Hydroxy-2,4,5-trimethoxy-2,2-dimethylpyrano[5,6:6,7]isoflavanone

Cudraxanthone R

(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol

Eupalinilide A

Pteroside S

dalpanol

6,7-Dihydro-6-hydroxyrotenone

Yadanziolide S

Bannaxanthone B

Paashaanolactone

(+)-Paashaanolactone

(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol

1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one

Vismiaphenone G

(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol

cis-12a-Hydroxyrot-2-enonic acid

(6aR,12aR) -6a,12a-Dihydro-9,12a-dihydroxy-2,3-dimethoxy-8- (3-methyl-2-buten-1-yl) - [1] benzopyrano [3,4-b] [1] benzopyran-12 (6H) -one

Dihydroamorphigenin

22,23-Dihydro-24-hydroxyrotenone

10,11-Dimethoxynareline

Kopsinicine

12-Acetoxycalanolide B

Bracteaxanthone I

Bracteaxanthone II

garcimangosxanthone B

Garciniaxanthone D

5,4-Dihydroxy-3,7,3-trimethoxy-8-prenylflavone

dalcochinin

(12R)-12-Hydroxy-2,3-dimethoxy-5-(1-hydroxymethylethenyl)4,5-dihydrofurano[2,3:9,8]rotenone

11beta,13-dihydrolactucopicrin

A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.

3,4-Dihydrolactupicrin

S-Ferulyl-N-gamma-glutamylcysteine

C18H24N2O7S (412.1304154)

4-Hydroxy-3,5,3-trimethoxy-7-prenyloxyflavone

Viscosol

5,7-Dihydroxy-3,6,4-trimethoxy-3-prenyloxyflavone

Bm 567

2-(cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-benzenesulfonamide

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate

MCULE-3919243085

C22H25FN4O3 (412.1910591999999)

SCHEMBL13927972

N6-Threonylcarbamoyladenosine

C15H20N6O8 (412.134256)

CONFIDENCE standard compound; INTERNAL_ID 308

picrodendrin-E

(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol

(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol

4,6,9-Trihydroxy-2-(1-hydroxy-1-methylethyl)-11-(3-methyl-2-butenyl-)-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one

picrodendrin L

aspercyclide B

8-C-glucosyl-7-O-methylaloediol

4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-2-naphthacenecarboxamide

Garcinone C

1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide

3,3,7-Trimethoxy-4-(prenyloxy)-5-hydroxyflavone

(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside

C19H28N2O8 (412.1845568)

garciniaxanthone D|Garciniaxanthose D

1beta-p-coumaroyloxyvaldiviolide

C20H28O9

8-deacetylcentaurepensin-8-O-(4-hydroxy)tiglate|8-deacylcentaurepensin 8-O-(4-hydroxy)-tiglate|8-desacetylcentaurepensin-8-O-(4-hydroxytiglinate)

uvacalol I

6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin

(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione

C26H20O5

Garcigerrin A

uvacalol J

14beta-hydroxypregn-5-enolone-3-O-sulfate

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

Diaethylfuroguaiaoxidin|diethylfuroguaiaoxidin

picrodendrin W

C20H25ClO7

C23H24O5S

C23H24O5S (412.1344374)

5alpha,14beta,15beta-trihydroxyklaineanone

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

ZKGCUXHSTWNFRA-UHFFFAOYSA-

flavisiamine D|prunifoline E

3S-(2,4-dihydroxybenzoyl)-4R,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

(4R)-3,4-dihydrolactucopicrin

C16H28O10S (412.14031080000007)

C16H28O10S

(S)-2-amino-5-((R)-1-carboxy-2-((E)-3-(4-hydroxy-3-methoxy-phenyl)allylthio)ethyl-amino)-5-oxopentanoic acid|N-L-gamma-glutamyl-S-coniferyl-L-cysteine

C18H24N2O7S (412.1304154)

morusignin F

penicitrinol F

(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D

citrusin C malonate

1-O-butanoyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|nonioside P

pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside

C23H24O7

3-O-2-phenylethyl-4a,10a-dihydrofusarubin A

1,3,8-Trihydroxy-2-(3-methyl-2-butenyl)-4-(3-methyl-3-hydroxybutanoyl)-9H-xanthene-9-one

grandosine|isopentyl grandoside

tomentodiplacone E

4-(3,7-dimethyl-6-hydroxy-2,7-octadienyl)-1,3,5,8-tetrahydroxyxanthone|garcihombronone B

tashironin C

C24H28O6

Parviflorene I

C27H24O4 (412.1674504)

13??,18-Dihydroeurycomanol

3-O-sulfoisoasterone tyramonium salt

6alpha,14,15beta-trihydroxyklaineanone

garvin A quinone

O-De-Me-Cyanonaphthyridinomycin

C21H24N4O5 (412.1746614)

C21H32O6S

(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3,4-methylenedioxyflavanone

An extended flavonoid that is 3,4-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.

5,6-Di-Me Ether-Sophoronol

jerantinine D

An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.

Cudraxanthone N

SCHEMBL4507323

8alpha,13-diacetoxy-1alpha,10alpha-1beta,5beta-diepoxygermacra-7(11)en-12-olide

1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester

C20H29BrO4 (412.12490940000004)

15-bromo-7,16,19-trihydroxy-9(11)-pargueren-2-one

(1R,3S,4S,5S,6S,7R,8S)-4beta-(chloromethyl)-3beta,4alpha-dihydroxy-8alpha-(sarracenoyloxy)-1alphaH,5alphaH,6betaH,7alphaH-guai-10(14),11(13)-dien-6,12-olide

His Trp Ala

Tyr Gln Cys

His Gln Glu

Glu His Gln

Ala His Trp

Lys Tyr Cys

Gln Glu His

His Glu Gln

Glu Gln His

tyrosylcysteyllysine

Gln Cys Tyr

Ala Trp His

4-(isobutanoyl)sucrose

4-hydroxy-rot-2-enonate

Brucein E

5H-3,11c-beta-(Epoxymethano)phenanthro(10,1-bc)pyran-5-one, 1,2,3,3a,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-beta,2-alpha,3a-beta,4-beta,10-alpha,11-beta-hexahydroxy-3-alpha,8,11a-beta-trimethyl-, (+)-

Brucein E is a natural product found in Brucea javanica with data available.

Pentamidine HCl

C19H26Cl2N4O2 (412.1432716)

3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol

NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol

NCGC00384627-01!

4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

NCGC00381244-01!4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester

NCGC00385419-01_C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester

C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside

NCGC00380753-01_C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside

C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)

NCGC00169902-02_C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)-

C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)

NCGC00380162-01_C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)

C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester

NCGC00385396-01_C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

C22H25FN4O3 (412.1910591999999)

9-OH-Risperidone

CONFIDENCE standard compound; INTERNAL_ID 1568

Dihydro-lactucopicrin

3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]

NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]

3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]

NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]

Austrobuxusin K

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%

Ala Ala Asp His

(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

Ala Ala His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

Ala Cys Gly Tyr

(2S)-2-{2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

Ala Cys Tyr Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

Ala Asp Ala His

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

Ala Asp His Ala

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

Ala Glu Gly His

(4S)-4-[(2S)-2-aminopropanamido]-4-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]butanoic acid

Ala Glu His Gly

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Ala Gly Cys Tyr

(2S)-2-[(2R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Ala Gly Glu His

(4S)-4-{2-[(2S)-2-aminopropanamido]acetamido}-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Ala Gly His Glu

(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

Ala Gly Tyr Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

Ala His Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]propanamido]butanedioic acid

Ala His Asp Ala

(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

Ala His Glu Gly

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid

Ala His Gly Glu

(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}pentanedioic acid

Ala Tyr Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetic acid

Ala Tyr Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanoic acid

Cys Ala Gly Tyr

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

Cys Ala Tyr Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

Cys Phe Gly Ser

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}-3-hydroxypropanoic acid

Cys Phe Ser Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]acetic acid

Cys Gly Ala Tyr

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}propanamido]-3-(4-hydroxyphenyl)propanoic acid

Cys Gly Phe Ser

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-phenylpropanamido]-3-hydroxypropanoic acid

Cys Gly His Pro

(2S)-1-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

Cys Gly Pro His

(2S)-2-{[(2S)-1-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

Cys Gly Ser Phe

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanamido]-3-phenylpropanoic acid

Cys Gly Tyr Ala

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]propanoic acid

Cys His Gly Pro

(2S)-1-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetyl}pyrrolidine-2-carboxylic acid

Cys His Pro Gly

2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}acetic acid

Cys Pro Gly His

(2S)-2-(2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-(1H-imidazol-4-yl)propanoic acid

Cys Pro His Gly

2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]acetic acid

Cys Pro Pro Pro

(2S)-1-{[(2S)-1-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Cys Ser Phe Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]acetic acid

Cys Ser Gly Phe

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetamido}-3-phenylpropanoic acid

Cys Tyr Ala Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]acetic acid

Cys Tyr Gly Ala

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}propanoic acid

Asp Ala Ala His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

Asp Ala His Ala

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

Asp His Ala Ala

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

Glu Ala Gly His

(4S)-4-amino-4-{[(1S)-1-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}butanoic acid

Glu Ala His Gly

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Glu Gly Ala His

(4S)-4-amino-4-[({[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]butanoic acid

Glu Gly His Ala

(4S)-4-amino-4-[({[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]butanoic acid

Glu His Ala Gly

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Glu His Gly Ala

(4S)-4-amino-4-{[(1S)-1-[({[(1S)-1-carboxyethyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Phe Cys Gly Ser

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]acetamido}-3-hydroxypropanoic acid

Phe Cys Ser Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]acetic acid

Phe Gly Cys Ser

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-sulfanylpropanamido]-3-hydroxypropanoic acid

Phe Gly Ser Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-hydroxypropanamido]-3-sulfanylpropanoic acid

Phe Ser Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]acetic acid

Phe Ser Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]acetamido}-3-sulfanylpropanoic acid

Gly Ala Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Gly Ala Glu His

(4S)-4-[(2S)-2-(2-aminoacetamido)propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Gly Ala His Glu

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

Gly Ala Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

Gly Cys Ala Tyr

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

Gly Cys Phe Ser

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

Gly Cys His Pro

(2S)-1-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

Gly Cys Pro His

(2S)-2-{[(2S)-1-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

Gly Cys Ser Phe

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

Gly Cys Tyr Ala

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

Gly Glu Ala His

(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Gly Glu His Ala

(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Gly Phe Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

Gly Phe Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

Gly His Ala Glu

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]propanamido]pentanedioic acid

Gly His Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Gly His Glu Ala

(4S)-4-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

Gly His Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Gly Pro Cys His

(2S)-2-[(2R)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

Gly Pro His Cys

(2R)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

Gly Ser Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

Gly Ser Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

Gly Ser Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

Gly Ser Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

Gly Tyr Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]propanamido]-3-sulfanylpropanoic acid

Gly Tyr Cys Ala

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]propanoic acid

Gly Tyr Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

His Ala Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]propanamido]butanedioic acid

His Ala Asp Ala

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

His Ala Glu Gly

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid

His Ala Gly Glu

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]acetamido}pentanedioic acid

His Cys Gly Pro

(2S)-1-{2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]acetyl}pyrrolidine-2-carboxylic acid

His Cys Pro Gly

2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetic acid

His Asp Ala Ala

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

His Glu Ala Gly

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid

His Glu Gly Ala

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-[({[(1S)-1-carboxyethyl]carbamoyl}methyl)carbamoyl]butanoic acid

His Gly Ala Glu

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}propanamido]pentanedioic acid

His Gly Cys Pro

(2S)-1-[(2R)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

His Gly Glu Ala

(4S)-4-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

His Gly Pro Cys

(2R)-2-{[(2S)-1-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

His Pro Cys Gly

2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]acetic acid

His Pro Gly Cys

(2R)-2-(2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-sulfanylpropanoic acid

Cys Tyr Lys

Gln Cys Tyr

Tyr Lys Cys

Gln His Glu

Tyr Cys Gln

Trp His Ala

Gln Tyr Cys

Cys Lys Tyr

Lys Cys Tyr

Cys Gln Tyr

Tyr Gln Cys

Pro Cys Gly His

(2S)-3-(1H-imidazol-4-yl)-2-{2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]acetamido}propanoic acid

Pro Cys His Gly

2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]acetic acid

Pro Cys Pro Pro

(2S)-1-{[(2S)-1-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Tyr Cys Lys

Pro Gly Cys His

(2S)-3-(1H-imidazol-4-yl)-2-[(2R)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}-3-sulfanylpropanamido]propanoic acid

Pro Gly His Cys

(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]-3-sulfanylpropanoic acid

Pro His Cys Gly

2-[(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]acetic acid

Pro His Gly Cys

(2R)-2-{2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}-3-sulfanylpropanoic acid

Pro Pro Cys Pro

(2S)-1-[(2R)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Pro Pro Pro Cys

(2R)-2-{[(2S)-1-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Cys Tyr Gln

His Ala Trp

Trp Ala His

Ser Cys Phe Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]acetic acid

Ser Cys Gly Phe

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetamido}-3-phenylpropanoic acid

Ser Phe Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]acetic acid

Ser Phe Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]acetamido}-3-sulfanylpropanoic acid

Ser Gly Cys Phe

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanamido]-3-phenylpropanoic acid

Ser Gly Phe Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-phenylpropanamido]-3-sulfanylpropanoic acid

Ser Gly Ser Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

Ser Gly Tyr Ser

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

Ser Ser Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

Ser Ser Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

Lys Tyr Cys

Ser Tyr Gly Ser

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanoic acid

Ser Tyr Ser Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetic acid

Tyr Ala Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-sulfanylpropanamido]acetic acid

Tyr Ala Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-sulfanylpropanoic acid

Tyr Cys Ala Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]propanamido]acetic acid

Tyr Cys Gly Ala

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetamido}propanoic acid

Tyr Gly Ala Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}propanamido]-3-sulfanylpropanoic acid

Tyr Gly Cys Ala

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanamido]propanoic acid

Tyr Gly Ser Ser

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido]-3-hydroxypropanoic acid

Tyr Ser Gly Ser

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanoic acid

Tyr Ser Ser Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]acetic acid

N-Carboxytocainide glucuronide

C18H24N2O9 (412.1481734)

17α,20β-Hydroxyprogesterone sulfate

3-β-hydroxy-20-oxopregn-5-en-17-α-yl sulfate

17-Hydroxypregnenolone sulfate

O-Deethylated candesartan

2-hydroxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid

C23H28N2O3S (412.18205380000006)

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

Dicaffeoylputrescine

(2E)-3-(3,4-dihydroxyphenyl)-N-{4-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]butyl}prop-2-enamide

Garcimangosone C

3,6,8,11-tetrahydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one

Methylpicraquassioside A

methyl 3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoate

Isopentyl gentiobioside

2-(3-methylbutoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

T6A [ABBR]

(2S,3R)-2-[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxybutanoic acid

C15H20N6O8 (412.134256)

4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate

2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione

4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate

ST 21:2;O3;S

17-Hydroxypregnenolone sulfate

C23H25ClN2O3 (412.15536099999997)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

cobalt,(6Z)-6-[[3-[methyl-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one

C21H27CoN3O2 (412.1435142)

Loratadine Impurity 25

2-Hydroxymethyl Loratadine

Dipyrrolidino(N-succinimidyloxy)carbenium hexafluorophosphate

C13H21F6N3O3P (412.12246580000004)

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C26H24N2O3 (412.17868339999995)

4-(Benzyloxy)-6-[(benzyloxy)carbonyl]-2-naphthoic acid

N-Boc-N-xanthyl-L-asparagine

(S)-(-)-1,1,1-TRIFLUOROUNDECAN-2-OL

1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine

C21H21ClN4O3 (412.13021060000005)

Nizofenone

N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents

boc-cys(bzl)-ser-ome

C19H28N2O6S (412.16679880000004)

(2R)-1,2-Propanediylbis(diphenylphosphine)

1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

C21H25BN2O4S (412.1628)

(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester

BIX 02188

FMoc-(R)-3-AMino-3-(4-cyano-phenyl)-propionic acid

C18H37O4PZn (412.17207820000004)

Halocortolone

C22H27ClF2O3 (412.1616686)

zinc,octadecyl phosphate

3,5-di-o-acetyl-o6-phenyl-2-deoxyinosine

C20H20N4O6 (412.138278)

FMOC-(S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONICACID

fmoc-D-2-cyanophenylalanine

Fmoc-Phe(2-CN)-OH

fmoc-d-3-cyanophenylalanine

Fmoc-D-Phe(4-CN)-OH

1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane

C24H26ClO2P (412.13588560000005)

(tert-butoxycarbonylmethyl)triphenylphosphonium chloride

1,3-Bis(diphenylphosphino)propane

N,N,N-Triphenylbenzidine

C20H29ClN2O5 (412.17648940000004)

Promethazine hcl

Remifentanil hydrochloride

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID

(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID

C18H30BBrO3Si (412.12405199999995)

(3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)(tert-butyl)dimethylsilane

Decloxizine (dihydrochloride)

C21H30Cl2N2O2 (412.16842199999996)

Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.

Fmoc-Phe(4-CN)-OH

C26H18F2N2O (412.13871219999993)

Morantel citrate

Morantel citrate salt

C18H24N2O7S (412.1304154)

DMP 543

10,10-Bis((2-fluoropyridin-4-yl)methyl)anthracen-9(10H)-one

PF3845yne

2-Bromo-9,9-dihexylfluorene

C25H33Br (412.17654780000004)

tin(iv) tert-butoxide

C16H36O4Sn (412.1635446)

N-Biphenyl-4-yl-N,N-diphenylbenzene-1,4-diamine

Ceralasertib

Ceralasertib(AZD6738)

C20H24N6O2S (412.1681364)

BIX02188

BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.

Fmoc-Phe(3-CN)-OH

3-(4-Butoxyphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione

Tetrabenzyl-TitaniuM-(IV)

C28H28Ti (412.1670358)

CefathiaMidine Lactone

C17H24N4O4S2 (412.1238904)

N1,N4-di(biphenyl-4-yl)benzene-1,4-diamine

4-Methoxyphenyl beta-D-galactopyranoside 2,4,6-triacetate

1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone

ethane-1,2-diol,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol

C19H32O2Sn (412.14241619999996)

(Benzoyloxy)(tributyl)stannane

boc-d-asn(xan)-oh

6,7-Dihydroxybergamottin acetonide

C21H26F2O4S (412.15197800000004)

Tri-1-naphthylphosphine

C30H21P (412.1380796)

6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid

Nizofenone fumarate

C21H21ClN4O3 (412.13021060000005)

JNJ-27390467 free base

C26H24N2O3 (412.17868339999995)

Pruvanserin hydrochloride

C22H22ClFN4O (412.1466084)

C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

O-Desethyl Candesartan

C21H24N4O3S (412.15690340000003)

A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan.

(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine

4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol

C23H25ClN2O3 (412.15536099999997)

4-Hydroxymethyl Loratadine

N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide

C21H24N4O3S (412.15690340000003)

6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one

C26H24N2O3 (412.17868339999995)

4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C17H24N4O4S2 (412.1238904)

21-Hydroxypregnenolone, 21-sulfate

Cnidioside B methyl ester

C22H24N2O4S (412.14567040000003)

Pentamidine dihydrochloride

C19H26Cl2N4O2 (412.1432716)

[(2S)-2-Sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)

5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile

C21H22F2N6O (412.1823066)

Atr kinase inhibitor AZD6738

C20H24N6O2S (412.1681364)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Capmatinib

Capmatinib (INCB28060)

C23H17FN6O (412.14478039999995)

Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-

4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

C22H25FN4O3 (412.1910591999999)

Desmethyl Paliperidone

Brucein E

2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

11b,13-Dihydrolactucopicrin

Aminodeoxyfutalosinate

C19H18N5O6- (412.1257028)

(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one

(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(Z)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one