Exact Mass: 565.1737

Exact Mass Matches: 565.1737

Found 132 metabolites which its exact mass value is equals to given mass value 565.1737, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Ipecoside

Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

C27H35NO12 (565.2159)

Ipecoside is a terpene glycoside. Ipecoside is a natural product found in Carapichea ipecacuanha with data available. Methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=15401-60-2 (retrieved 2024-07-09) (CAS RN: 15401-60-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ipecoside is an alkaloid isolated from Psychotria[1].

Pelargonidin 3-O-beta-D-sambubioside

C26H29O14+ (565.1557)

An anthocyanidin 3-O-beta-D-sambubioside having pelargonidin as the anthocyanidin component.

N-Acetyl-N6,O-didemethylpuromycin-5-phosphate

C22H28N7O9P (565.1686)

Acrimarine I

6,11-dihydroxy-12-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

C34H31NO7 (565.21)

Acrimarine I is found in citrus. Acrimarine I is an alkaloid from roots of Yalaha. Alkaloid from roots of Yalaha. Acrimarine I is found in citrus.

(2-Amino-3-methylphenyl)-[4-[4-[[2-(3-chlorophenyl)sulfonylphenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone

(2-Amino-3-methylphenyl)-[4-[4-[[2-(3-chlorophenyl)sulphonylphenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone

C31H36ClN3O3S (565.2166)

Glutamine glutamate aspartate

4,12-diamino-3,6,9,13-tetraoxo-1,2,7,8-tetraoxacyclotridecan-4-yl 2-amino-5-[(2-amino-4-carbamoylbutanoyl)peroxy]-5-oxopentanoate

C19H27N5O15 (565.1504)

Pelargonidin 3-O-[b-D-Xylopyranosyl-(1->2)-a-D-glucopyranoside]

3-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C26H29O14 (565.1557)

Pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] can be found in a number of food items such as redcurrant, black chokeberry, blackcurrant, and black elderberry, which makes pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] a potential biomarker for the consumption of these food products.

Pelargonidin 3-lathyroside

3- [ 2-O- (beta-D-Xylopyranosyl) -beta-D-galactopyranosyloxy ] -5,7-dihydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium

C26H29O14 (565.1557)

C27H35NO12_Methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

NCGC00169097-03_C27H35NO12_Methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

C27H35NO12 (565.2159)

Ipecoside is an alkaloid isolated from Psychotria[1].

methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

C27H35NO12 (565.2159)

Viridicatumtoxin

C30H31NO10 (565.1948)

A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium amphipolaria

Vatiamide B

C28H37BrClNO4 (565.1594)

Cys Glu Glu Trp

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

C24H31N5O9S (565.1842)

Cys Glu Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Cys Trp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Asp Asp Met Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H31N5O9S (565.1842)

Asp Asp Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H31N5O9S (565.1842)

Asp Met Asp Trp

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

C24H31N5O9S (565.1842)

Asp Met Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O9S (565.1842)

Asp Trp Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C24H31N5O9S (565.1842)

Asp Trp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C24H31N5O9S (565.1842)

Glu Cys Glu Trp

(4S)-4-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O9S (565.1842)

Glu Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Glu Glu Cys Trp

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C24H31N5O9S (565.1842)

Glu Glu Trp Cys

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O9S (565.1842)

Glu Met Thr Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Glu Met Trp Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Glu Thr Met Trp

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Glu Thr Trp Met

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Glu Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Glu Trp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C24H31N5O9S (565.1842)

Glu Trp Met Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Glu Trp Thr Met

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Met Asp Asp Trp

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

C24H31N5O9S (565.1842)

Met Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O9S (565.1842)

Met Glu Thr Trp

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Met Glu Trp Thr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Met Thr Glu Trp

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Met Thr Trp Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H35N5O8S (565.2206)

Met Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C24H31N5O9S (565.1842)

Met Trp Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Met Trp Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C25H35N5O8S (565.2206)

7-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649)

8-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649)

Thr Glu Met Trp

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Thr Glu Trp Met

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Thr Met Glu Trp

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Thr Met Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H35N5O8S (565.2206)

Thr Trp Glu Met

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Thr Trp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C25H35N5O8S (565.2206)

Trp Cys Glu Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Trp Asp Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C24H31N5O9S (565.1842)

Trp Asp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C24H31N5O9S (565.1842)

Trp Glu Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C24H31N5O9S (565.1842)

Trp Glu Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C24H31N5O9S (565.1842)

Trp Glu Met Thr

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Trp Glu Thr Met

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Trp Met Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]butanedioic acid

C24H31N5O9S (565.1842)

Trp Met Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Trp Met Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]pentanedioic acid

C25H35N5O8S (565.2206)

Trp Thr Glu Met

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C25H35N5O8S (565.2206)

Trp Thr Met Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C25H35N5O8S (565.2206)

DNGNF

Asp-Asn-Gly-Asn-Phe

C23H31N7O10 (565.2132)

Acrimarine I

6,11-dihydroxy-12-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

C34H31NO7 (565.21)

Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium

C24H34N2O7Rh (565.1421)

1,1-[6-(pyren-2-yl)-1,3,5-triazine-2,4-diyl]bis(2-naphthol)

C39H23N3O2 (565.179)

Benzenesulfonamide,4-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]amino]ethyl]-

C25H31N3O6S3 (565.1375)

Ezatiostat hydrochloride

Ezatiostat (hydrochloride)

C27H36ClN3O6S (565.2013)

C471 - Enzyme Inhibitor > C2137 - Glutathione Transferase Inhibitor

O,O-Diethylphosphoryl (Z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminoacetate

C28H28N3O6PS (565.1436)

THZ1 2HCl

C31H28ClN7O2 (565.1993)

Ertugliflozin L-pyroglutamic acid

C27H32ClNO10 (565.1715)

1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(cyclohexylamino)-1,2-diphenylethyl)thiourea

C29H29F6N3S (565.1986)

Fmoc-Cys(tBu)-Opfp

C28H24F5NO4S (565.1346)

Befetupitant

C29H29F6N3O2 (565.2164)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Pelargonidin 3-O-sambubioside

C26H29O14+ (565.1557)

(4,12-Diamino-3,6,9,13-tetraoxo-1,2,7,8-tetraoxacyclotridec-4-yl) 2-amino-5-(2,5-diamino-5-oxopentanoyl)peroxy-5-oxopentanoate

C19H27N5O15 (565.1504)

Lonijaposide D

C26H31NO13 (565.1795)

A natural product found in Lonicera japonica.

Pelargonidin 3-lathyroside

C26H29O14+ (565.1557)

N-[[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

N-[[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-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-methyl-2-pyridin-4-ylacetamide

C30H32FN3O5S (565.2047)

Pelargonidin 3-sambubioside

C26H29O14+ (565.1557)

ST 19:5;O7;HexNAc

C27H35NO12 (565.2159)

ST 25:7;O7;Tau

C27H35NO10S (565.1982)

A-317491

C33H27NO8 (565.1737)

A-317491 is a potent, selective and non-nucleotide antagonist of P2X3 and P2X2/3 receptors, with Kis of 22, 22, 9, and 92 nM for hP2X3, rP2X3, hP2X2/3, and rP2X2/3, respectively. A-317491 is highly selective (IC50>10 μM) over other P2 receptors and other neurotransmitter receptors, ion channels, and enzymes. A-317491 reduces inflammatory and neuropathic pain by blocking P2X3 and P2X2/3 receptor-mediated calcium flux[1][2].

MK-4074

C33H31N3O6 (565.2213)

MK-4074 is a liver-specific inhibitor of acetyl-CoA carboxylase ACC1 and ACC2 with IC50 values of approximately 3 nM.

NB-598 (Maleate)

C31H35NO5S2 (565.1957)

NB-598 Maleate is a potent and competitive inhibitor of squalene epoxidase (SE), and suppresses triglyceride biosynthesis through the farnesol pathway. NB-598 (Maleate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Z-Ala-Ala-Asn-AMC

C28H31N5O8 (565.2173)

Z-Ala-Ala-Asn-AMC (Cbz-Ala-Ala-Asn-AMC) is the legumain substrate. Overexpressed legumain in 293 HEK-Leg cells potently cleaved CBZ-Ala-Ala-Asn-AMC[1].

10,11-dihydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO10 (565.1948)

2-(1-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexan-2-yl)-3,7,8-trihydroxy-1-oxo-4-phenyl-4h-isoquinoline-3-carboxylic acid

C29H31N3O9 (565.206)

methyl 4-[(2-acetyl-5,6-dihydroxy-3,4-dihydro-1h-isoquinolin-3-yl)methyl]-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

(4r)-2-[(1s)-1-hydroxy-1-[(2r,4s)-2-[(4r)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

(4r)-2-[(1r)-1-hydroxy-1-[(2r,4r)-2-[(4r)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

2-(1-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-2-hydroxy-1-(oxiran-2-yl)ethyl)-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione

C30H31NO10 (565.1948)

(2s,7as,11as,12s)-5,6,7a,8,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,10-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

C30H31NO10 (565.1948)

angucycline

C29H27NO11 (565.1584)

{"Ingredient_id": "HBIN016127","Ingredient_name": "angucycline","Alias": "NA","Ingredient_formula": "C29H27NO11","Ingredient_Smile": "CC(=O)OCC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C5C(=NC=C4C3=O)CCCC5=O)O)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-3-[2-(4-hydroxyphenyl)ethyl]benzo[e]indole-2,5-dione

C32H23NO9 (565.1373)

(4s)-2-[(1r)-1-hydroxy-1-[(2r,4r)-2-[(4r)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

3-{[(2s,5r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C26H29O14]+ (565.1557)

6,11-dihydroxy-12-[(1s)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one

C34H31NO7 (565.21)

methyl (4s,5s,6r)-4-{[(1r)-2-acetyl-7,8-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5s,6r)-4-{[(1r)-2-acetyl-7,8-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

(4s)-2-[(1s)-1-hydroxy-1-[(2r,4s)-2-[(4r)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

methyl (4s,5r,6s)-4-{[(1r)-2-acetyl-7,8-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-4-{[(1r)-2-acetyl-7,8-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

3-carboxy-5-[(1e)-2-[(2s,3r,4s)-5-carboxylato-3-ethenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]ethenyl]-1-(3-carboxypropyl)pyridin-1-ium

C26H31NO13 (565.1795)

(10s,11r,12r,13s,14r)-10,11-dihydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO10 (565.1948)

(4s)-2-[(1s)-1-hydroxy-1-[(2r,4r)-2-[(4r)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

methyl (6s)-4-{[(1r)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

methyl (4s,5r,6s)-4-{[(3r)-2-acetyl-5,6-dihydroxy-3,4-dihydro-1h-isoquinolin-3-yl]methyl}-5-ethenyl-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-4-{[(3r)-2-acetyl-5,6-dihydroxy-3,4-dihydro-1h-isoquinolin-3-yl]methyl}-5-ethenyl-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

5,6,7a,10,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,8-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

C30H31NO10 (565.1948)

2-(1-hydroxy-1-{2-[2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl)-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

(3s,4r)-2-[(2s)-1-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexan-2-yl]-3,7,8-trihydroxy-1-oxo-4-phenyl-4h-isoquinoline-3-carboxylic acid

C29H31N3O9 (565.206)

(2s,7as,11as,12s)-5,6,7a,10,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,8-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

C30H31NO10 (565.1948)

(4s)-2-[(1r)-1-hydroxy-2-methyl-1-[(2r,4r)-3-methyl-2-[(4r)-2-[(1e)-6-oxo-2-pentylcyclohexa-2,4-dien-1-ylidene]-1,3-thiazolidin-4-yl]-1,3-thiazolidin-4-yl]propan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

(4s)-2-[(1r)-1-hydroxy-2-methyl-1-[(2r,4r)-3-methyl-2-[(4r)-2-[(1e)-6-oxo-2-pentylcyclohexa-2,4-dien-1-ylidene]-1,3-thiazolidin-4-yl]-1,3-thiazolidin-4-yl]propan-2-yl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid

C27H39N3O4S3 (565.2103)

(9z)-9-[amino(hydroxy)methylidene]-5,6,7a,11a,12-pentahydroxy-3-methoxy-2',6',6'-trimethyl-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-7,8,10-trione

C30H31NO10 (565.1948)

methyl 4-[(2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C27H35NO12 (565.2159)

5,6,7a,8,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,10-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

C30H31NO10 (565.1948)

3-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C26H29O14]+ (565.1557)