Exact Mass: 362.1316

Nagilactone C

5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione

Nagilactone is a natural product found in Podocarpus hallii, Afrocarpus gracilior

gibberellin A8-catabolite

A tetracyclic diterpenoid obtained by catabolism of gibberellin A8.

Gibberellin A21

(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9,11-dicarboxylic acid

Gibberellin A21 (GA21) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A21 is found in pulses. Gibberellin A21 is a constituent of the immature seeds of Canavalia gladiata (sword bean). Constituent of the immature seeds of Canavalia gladiata (sword bean). Gibberellin A21 is found in pulses.

Zanthobisquinolone

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one

Zanthobisquinolone is found in fruits. Zanthobisquinolone is an alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Zanthobisquinolone is found in herbs and spices and fruits.

Gibberellin A87

(1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid

Gibberellin A87 (GA87) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A87 is found in fruits. Gibberellin A87 is a constituent of Prunus avium (wild cherry). Constituent of Prunus avium (wild cherry). Gibberellin A87 is found in many foods, some of which are sour cherry, peach, sweet cherry, and fruits.

Diosbulbin C

3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylic acid

Diosbulbin C is found in root vegetables. Diosbulbin C is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin C is found in root vegetables.

Gibberellin A93

(1R,2R,5S,8S,9S,10R,11S,12R,14S,15R)-5,15-dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1^{5,8}.0^{1,10}.0^{2,8}.0^{12,14}]octadecane-9-carboxylic acid

Gibberellin A93 (GA93) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A93 is found in cereals and cereal products. Gibberellin A93 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A93 is found in wheat, cereals and cereal products, and common wheat.

2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits. 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits.

3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine

1-methyl-4-({[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}methyl)-1H-1,2,3-triazole

C17H14N8O2 (362.124)

α5IA (L-822179) is a selective α5 GABAA receptor inverse agonist with neuroprotective potential[1].

5Z-7-Oxozeaenol

8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-benzo(c)(1)oxacyclotetradecine-1,7(8H)-dione

homocamptothecin

20-ethyl-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.0^{2,11}.0^{4,9}.0^{15,21}]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Marbofloxacin

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C17H19FN4O4 (362.139)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

2-Chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline

2-chloro-N-[(4-{[(2-chlorophenyl)amino]methyl}cyclohexyl)methyl]aniline

C20H24Cl2N2 (362.1316)

Ligstroside-aglycone

Methyl (2R,3E,4S)-3-ethylidene-2-hydroxy-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylic acid

Ligstroside-aglycone belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Ligstroside-aglycone is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ligstroside-aglycone can be found in olive, which makes ligstroside-aglycone a potential biomarker for the consumption of this food product.

gibberellin A8-catabolite

5,12-dihydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadec-7-ene-2,4-dicarboxylic acid

Gibberellin a8-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a8-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a8-catabolite can be found in a number of food items such as chia, durian, pepper (c. annuum), and mung bean, which makes gibberellin a8-catabolite a potential biomarker for the consumption of these food products.

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid

Verafinin C

Gibberellin A33

Ovalifolienalone

Gaillardipinnatin

Samaderine B

A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits antimalarial and cytotoxic activities.

Repin

[3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-propenoic acid

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid

Epoxyrepdiolide

11,13-Dihydrovernodalin

Gibberellin A26

Machaerol B

6,2-Dihydroxy-7,8,3,4-tetramethoxyisoflavan

Melampodin C

Oxoafraglaucolide

[9S-(9R*,10E,11aS*)]-9-(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,9,11a-tetrahydro-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione

Tomenphantopin B

[3aS-(3aR,4R,5R,6S,10R,11aS)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

Dihydroelephantopin

2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

[3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one

[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one

(3S)-7,3-Dihydroxy-8,2,4,5-tetramethoxyisoflavan

2,3-Dihydroxy-3,4,4,5-tetramethoxydihydrochalcone

Marbofloxacin

C17H19FN4O4 (362.139)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3689 CONFIDENCE standard compound; INTERNAL_ID 1031

alpha-Aminoorcein

A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens.

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

Dicyclohexyl sulfosuccinate

C16H26O7S (362.1399)

CONFIDENCE standard compound; INTERNAL_ID 2497

6-O-trans-p-coumaroyl-3beta-O-methyl-7-deoxyrehmaglutin A|6-O-trans-p-Coumaroyl-3??-O-methyl-7-deoxyrehmaglutin A

8alpha,15-Bis(acetoxy)anhydroverlotorin

lindiol

(E)-8alpha,15-Diacetoxy-1-oxo-beta-cyclocostunolid|1-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide

shinjulactone B

8-(Methylpropanoyl)-(4Z,6alpha,8beta,9alpha,10beta)-3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide

2-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide

4alpha,5beta-epoxy-4,5-dihydrovernonallenolide

6-Hydroxy-5,6-dihydroeurycomalactone

eupahakonin-B

C19H22O7

pseudoelephantopide 8-O-methacrylate

(6S,7R,8S)-8,14-diacetoxyhelianga-1(10),4,11(13)-trien-15-al-6,12-olide

SCHEMBL3357908

Scorpiolide

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid

3-O-demethyltanegool

(4R,5S,6S,7R,8S,10R)-8-(2,3-Epoxy-2-methylpropanoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide

(4R*,5S*,6S*,7R*,8S*,10R*)-8-(2,3-Epoxy-2-methylpropanoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide

FR 148083; L 783279

3,4,7,8-Tetra-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan

4,15-isobudlein A isobutyrate

Onopordopicrin

2,2-dihydroxy-4,4,6,6-tetramethoxy-3,3-dimethylbenzophenone

(5R,6R,7R,8S,10S)-8,14-diacetoxyelema-1,3,11(13)-trien-15-al-6,12-olide

2-O-beta-D-glucosyltrideca-3E,11Z-dien-5,7,9-triyn-1,2-diol

2,3-dihydroxy-4,3,4,5-tetramethoxydihydrochalcone

8??-Epoxymethylacrylyloxyparthenin

2-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-3,4-chromanediol #

eupahakonin-A

(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6,10-trimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6-dimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|15-hydroxy-remantholide C|15-hydroxyeremantholide C

(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6,10-trimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6-dimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|15-hydroxy-remantholide C|15-hydroxyeremantholide C

metasequirin E

A natural product found in Metasequoia glyptostroboides.

inumakilactone

A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).

C20H18N4O3

1alpha,8alpha-diacetoxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide

4-(4-hydroxybenzyl)phenyl glucoside|gastrodin B

18-O-Demethyldiosbulbi F

rezishanone A

SCHEMBL14079290

phomosine B

4beta,15-epoxymiller-9Z-enolide

2-beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|2beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|Cytopiloyne

(7R)-7-hydroxytaxiresinol

A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 4. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors

(1S,4R,7S,8S,10R*)-1-hydroxy-1,4,7,10-diepoxy-8-methacryloxygermacra-5Z,11(13)-dien-6,12-olide

(1S*,4R*,7S*,8S*,10R*)-1-hydroxy-1,4,7,10-diepoxy-8-methacryloxygermacra-5Z,11(13)-dien-6,12-olide

4beta-hydroxy-4,5-dihydro-5,6-dehydrovernonallenolide

3xi,4xi-epoxy-5,6-dehydroeurycomalactone

9-O-Acetylsalograviolide A

5beta-hydroxy-4,5-dihydro-15-desoxygoyazensolide

(6S,7R,8S)-8,15-diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxymelampa-1(10),4,11(13)-trien-14-al-6,12-olide|(E,E)-8alpha,15-Diacetoxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olid

(6S,7R,8S)-8,15-diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxymelampa-1(10),4,11(13)-trien-14-al-6,12-olide|(E,E)-8alpha,15-Diacetoxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olid

8alpha,13-diacetoxy-7,11-dehydro-11,13-dihydroanhydroverlotorin

Excavacoumarin F

2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

Lepidine F

Glabrescone C

ACon1_001022

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.101 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.098 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.092

MLS000574930-01!

C19H22O7_(3aS,4S,5S,6E,10Z,11aR)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl methacrylate

NCGC00380470-01_C19H22O7_(3aS,4S,5S,6E,10Z,11aR)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl methacrylate

8-2-Amino-3,8-dimmethylimidazo[4,5-f]quinoxaline-guanine

C16H14N10O1 (362.1352)

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major

Isogoyazensolide

Cys Gly Pro Ser

(2S)-2-{[(2S)-1-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

Cys Gly Ser Pro

(2S)-1-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Cys Pro Gly Ser

(2S)-2-(2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-hydroxypropanoic acid

Cys Pro Ser Gly

2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetic acid

Cys Ser Gly Pro

(2S)-1-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetyl}pyrrolidine-2-carboxylic acid

Cys Ser Pro Gly

2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}acetic acid

Gly Cys Pro Ser

(2S)-2-{[(2S)-1-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

Gly Cys Ser Pro

(2S)-1-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Gly Pro Cys Ser

(2S)-2-[(2R)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxypropanoic acid

Gly Pro Ser Cys

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

Gly Ser Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Gly Ser Pro Cys

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

Pro Cys Gly Ser

(2S)-3-hydroxy-2-{2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]acetamido}propanoic acid

Pro Cys Ser Gly

2-[(2S)-3-hydroxy-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]acetic acid

Pro Gly Cys Ser

(2S)-3-hydroxy-2-[(2R)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}-3-sulfanylpropanamido]propanoic acid

Pro Gly Ser Cys

(2R)-2-[(2S)-3-hydroxy-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]-3-sulfanylpropanoic acid

Pro Ser Cys Gly

2-[(2R)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]acetic acid

Pro Ser Gly Cys

(2R)-2-{2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}-3-sulfanylpropanoic acid

Ser Cys Gly Pro

(2S)-1-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetyl}pyrrolidine-2-carboxylic acid

Ser Cys Pro Gly

2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetic acid

Ser Gly Cys Pro

(2S)-1-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Ser Gly Pro Cys

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

Ser Pro Cys Gly

2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]acetic acid

Ser Pro Gly Cys

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

(3S)-3,7-dihydroxy-2,4,5,8-tetramethoxyisoflavan

Val-His-OH

(S)-4-(1H-imidazol-4-yl)-2-(3-isopropoxy-4-nitrobenzamido)butanoic acid

C16H18N4O6 (362.1226)

His-Abu-OH

(S)-2-(3-(2-(1H-imidazol-4-yl)ethoxy)-4-nitrobenzamido)pentanoic acid

C16H18N4O6 (362.1226)

Gibberellin A93

5,15-dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1^{5,8}.0^{1,10}.0^{2,8}.0^{12,14}]octadecane-9-carboxylic acid

2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan

2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol

Gibberellin A21

5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9,11-dicarboxylic acid

Diosbulbin C

3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0^{1,5}.0^{6,11}]pentadecane-10-carboxylic acid

Gibberellin A87

4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid

Zanthobisquinolone

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one

Dimerostin

Austrobuxusin M

ethyl 2-amino-3-nitro-4,6-diphenylbenzoate

Bis-AT-AF

C17H16F6N2 (362.1218)

3-[[2-(3-anilinophenoxy)acetyl]amino]benzoic acid

3-[[2-(4-anilinophenoxy)acetyl]amino]benzoic acid

Fmoc-Py-OH

Acridine, 3-amino-9-(p-aminophenyl)-2-methyl-, nitrate (8CI)

2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane

C17H16F6N2 (362.1218)

4-Benzyl-3-(butylamino)-5-sulfamoylbenzoic acid

METHYL 6-(4-(((BENZYLOXY)CARBONYL)AMINO)PHENYL)PICOLINATE

N-(5-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-4-(QUINOXALIN-6-YL)-1H-IMIDAZOL-2-YL)ACETAMIDE

C19H15FN6O (362.1291)

2-[2-(Fmoc-amino)ethoxy]ethylamine hydrochloride

C19H23ClN2O3 (362.1397)

1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-phenyl-, hydrochloride (1:1)

C19H23ClN2OS (362.122)

Benzyl 3-(((benzyloxy)carbonyl)amino)picolinate

2,3-DI(P-TOLYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C21H19ClN4 (362.1298)

2,3-BIS(3-METHYLPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C21H19ClN4 (362.1298)

Febuxostat impurity 6

Labetalone hydrochloride

C19H23ClN2O3 (362.1397)

Methanone,1,1-[1,1-biphenyl]-2,2-diylbis[1-phenyl-

C26H18O2 (362.1307)

(+/-)-E-Homocamptothecin

5Z-7-Oxozeaenol

A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.

homocamptothecin

Ethyl 7-(3-hydroxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

N-[[(2S,4R)-4-[(4-methyl-5-isoquinolinyl)sulfonylamino]-2-pyrrolidinyl]methyl]acetamide

C17H22N4O3S (362.1413)

2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione

(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

C20H20F2O4 (362.133)

Imidazole-derived cellobiose

C14H22N2O9 (362.1325)

(3R,5Z,8S,9S,11E)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

N-[O-Phosphono-pyridoxyl]-isoleucine

C14H23N2O7P (362.1243)

2-[O-Phosphonopyridoxyl]-amino-hexanoic acid

C14H23N2O7P (362.1243)

[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid

C17H19FN4O4 (362.139)

[6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid

4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

5,15-Dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid

N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine

C14H24N3O6S- (362.1386)

Ligstroside-aglycone

(6E,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

Hexaethylene glycol monophosphate

C12H27O10P (362.1342)

2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone

azanigerone A

An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid.

1-(3-Amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(2-methoxyphenyl)ethanone

N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

8-(4-Methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one

N-(3-cyanophenyl)-2-(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide

N-(2-methoxy-5-methylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

Diphenyl (2R,3S)-3-hydroxy-2-methyl-1-oxopentyl methanephosphonate

C19H23O5P (362.1283)

1-Azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone

C19H23ClN2O3 (362.1397)

N-butan-2-yl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-thiadiazolecarboxamide

C17H22N4O3S (362.1413)

2-[[(3-Methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester

(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)prop-2-enamide

(1S,2S,4aR,4bR,7S,9S,9aR,10S,10aR)-2,7,9-trihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid

1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]-1,3-diazinane-2,4,6-trione

[(3aS,4S,5S,6E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

[(6E,10Z)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

CID 442063

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan

5E-7-oxozeaenol

A macrolide that is the 7-oxo derivative of zeaenol (the 5E stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.

ST 19:5;O7

(1r,2r,6s,7z,11s)-8-(hydroxymethyl)-3-methylidene-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-dien-11-yl 2-methylpropanoate

5-(acetyloxy)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl acetate

(1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione

(2s,4as,6as,7r,9r,10ar,10bs)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-decahydronaphtho[2,1-c]pyran-7-carboxylic acid

10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3ah,4h,5h,8h,11ah-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

(3s,5z,8r,9r,11z)-8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione

methyl 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-1-oxacyclododecan-4-yl)sulfanyl]propanoate

C16H26O7S (362.1399)

(1s,4r,5s,8r,9s,10s,11r,12s,16r)-9,12-dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁶]octadec-14-ene-6,13,18-trione

methyl 2-[2-(5-iminopyrrolidin-2-yl)-4-oxoquinazolin-3-yl]benzoate

(3ar,4r,6as,9ar,9bs)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2,4-dihydroxybut-2-enoate

(1s,2r,6r,7s,9r,12s)-9-ethenyl-12-hydroxy-5,13-dimethylidene-4-oxo-3,11-dioxatricyclo[7.4.0.0²,⁶]tridecan-7-yl 2-(hydroxymethyl)prop-2-enoate

(2s)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-8-ol

(1s,2s,3s,4e,8s,15s,17s)-2-hydroxy-1,8,17-trimethyl-7,14,18-trioxatetracyclo[10.5.2.0³,¹⁵.0¹⁵,¹⁹]nonadeca-4,12(19)-diene-6,11,13-trione

10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylpropanoate

(1s,5r,6s,8r,12r,14s)-8,12-dimethyl-2-methylidene-3,11-dioxo-4,7,15-trioxatetracyclo[10.2.1.0¹,⁵.0⁶,⁸]pentadecan-14-yl 2-methylprop-2-enoate

(2e,4s,6e)-4-hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoic acid

[(1s,2r,7s,9s,11s,13s)-7-(acetyloxy)-9,13-dimethyl-4,10-dioxo-3-oxatetracyclo[7.4.0.0²,⁶.0¹¹,¹³]tridec-5-en-5-yl]methyl acetate

(1s,4s,6r,7r,9s,11s)-4-hydroxy-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(3ar,4s,5r,6s,7s,7ar)-7-hydroxy-6-methyl-3-methylidene-6-[(2r)-oxiran-2-yl]-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-4-yl 2-methylprop-2-enoate

6-o-cis-p-coumaroyl-3α-o-methyl-7-deoxy-rehmaglutin a

{"Ingredient_id": "HBIN012656","Ingredient_name": "6-o-cis-p-coumaroyl-3\u03b1-o-methyl-7-deoxy-rehmaglutin a","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-cis-p-coumaroyl-3β-o-methyl-7-deoxy-rehmaglutin a

{"Ingredient_id": "HBIN012657","Ingredient_name": "6-o-cis-p-coumaroyl-3\u03b2-o-methyl-7-deoxy-rehmaglutin a","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4172","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-trans-p-coumaroyl-3α-o-methyl-7-deoxy-rehmaglutin a

{"Ingredient_id": "HBIN012721","Ingredient_name": "6-o-trans-p-coumaroyl-3\u03b1-o-methyl-7-deoxy-rehmaglutin a","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-trans-p-coumaroyl-3β-o-methyl-7-deoxy-rehmaglutin a

{"Ingredient_id": "HBIN012722","Ingredient_name": "6-o-trans-p-coumaroyl-3\u03b2-o-methyl-7-deoxy-rehmaglutin a","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4174","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

8α-epoxymethylacrylyloxyparthenin

{"Ingredient_id": "HBIN013625","Ingredient_name": "8\u03b1-epoxymethylacrylyloxyparthenin","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "CC1CC(C2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C)OC(=O)C4(CO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

9-o-acetylsalograviolide a