Exact Mass: 565.1986

Exact Mass Matches: 565.1986

Found 209 metabolites which its exact mass value is equals to given mass value 565.1986, 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)

Lac Dye

2-{[6-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C26H35N3O11 (565.2271)

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)

UK-343664

C28H35N7O4S (565.2471)

CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3440; ORIGINAL_PRECURSOR_SCAN_NO 3438 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3458; ORIGINAL_PRECURSOR_SCAN_NO 3454 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3453 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3449; ORIGINAL_PRECURSOR_SCAN_NO 3445 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3463; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3465; ORIGINAL_PRECURSOR_SCAN_NO 3463 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7394; ORIGINAL_PRECURSOR_SCAN_NO 7391 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7406; ORIGINAL_PRECURSOR_SCAN_NO 7405 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7419; ORIGINAL_PRECURSOR_SCAN_NO 7417 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7414; ORIGINAL_PRECURSOR_SCAN_NO 7412 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7424; ORIGINAL_PRECURSOR_SCAN_NO 7423 CONFIDENCE standard compound; INTERNAL_ID 1230; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7439; ORIGINAL_PRECURSOR_SCAN_NO 7437

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 Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C21H39N7O7S2 (565.2352)

Glu Met Arg Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C21H39N7O7S2 (565.2352)

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 Arg Met Met

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}butanoic acid

C21H39N7O7S2 (565.2352)

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)

His His Ser Trp

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

C26H31N9O6 (565.2397)

His His Trp Ser

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

C26H31N9O6 (565.2397)

His Ser His Trp

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

C26H31N9O6 (565.2397)

His Ser Trp His

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

C26H31N9O6 (565.2397)

His Trp His Ser

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

C26H31N9O6 (565.2397)

His Trp Ser His

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

C26H31N9O6 (565.2397)

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 Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C21H39N7O7S2 (565.2352)

Met Glu Arg Met

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

C21H39N7O7S2 (565.2352)

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 Met Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C21H39N7O7S2 (565.2352)

Met Met Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C21H39N7O7S2 (565.2352)

Met Met Val Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C26H39N5O5S2 (565.2392)

Met Met Trp Val

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

C26H39N5O5S2 (565.2392)

Met Arg Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C21H39N7O7S2 (565.2352)

Met Arg Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C21H39N7O7S2 (565.2352)

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 Val Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C26H39N5O5S2 (565.2392)

Met Val Trp Met

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

C26H39N5O5S2 (565.2392)

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 Met Val

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

C26H39N5O5S2 (565.2392)

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)

Met Trp Val Met

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

C26H39N5O5S2 (565.2392)

7-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649)

8-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649)

Arg Glu Met Met

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C21H39N7O7S2 (565.2352)

Arg Met Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C21H39N7O7S2 (565.2352)

Arg Met Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C21H39N7O7S2 (565.2352)

Ser His His Trp

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

C26H31N9O6 (565.2397)

Ser His Trp His

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

C26H31N9O6 (565.2397)

Ser Trp His His

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

C26H31N9O6 (565.2397)

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)

Val Met Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C26H39N5O5S2 (565.2392)

Val Met Trp Met

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

C26H39N5O5S2 (565.2392)

Val Trp Met Met

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

C26H39N5O5S2 (565.2392)

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 His His Ser

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

C26H31N9O6 (565.2397)

Trp His Ser His

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

C26H31N9O6 (565.2397)

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 Met Val

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

C26H39N5O5S2 (565.2392)

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 Met Val Met

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

C26H39N5O5S2 (565.2392)

Trp Ser His His

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

C26H31N9O6 (565.2397)

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)

Trp Val Met Met

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

C26H39N5O5S2 (565.2392)

DNGNF

Asp-Asn-Gly-Asn-Phe

C23H31N7O10 (565.2132)

SELSM

Ser-Glu-Leu-Ser-Met

C22H39N5O10S (565.2418)

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)

disodium 1-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphosuccinate

C24H41NNa2O9S (565.2297)

Cicortonide

C29H37ClFNO7 (565.2242)

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

C39H23N3O2 (565.179)

Dicon

C18H39N5O13S (565.2265)

Ezatiostat hydrochloride

Ezatiostat (hydrochloride)

C27H36ClN3O6S (565.2013)

C471 - Enzyme Inhibitor > C2137 - Glutathione Transferase Inhibitor

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)

Lumateperone Tosylate

C31H36FN3O4S (565.241)

C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Lumateperone (ITI-007) tosylate is a 5-HT2A receptor antagonist (Ki = 0.54 nM), a partial agonist of presynaptic D2 receptors and an antagonist of postsynaptic D2 receptors (Ki = 32 nM), and a dopamine D1 receptor modulator. Lumateperone tosylate has anticancer activity and can also be used in studies of psychiatric disorders such as schizophrenia[1][2][3].

Befetupitant

C29H29F6N3O2 (565.2164)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Lac Dye

C26H35N3O11 (565.2271)

alpha-Verdoheme

C33H33N4O5+ (565.2451)

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-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

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-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

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-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(2S,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2R,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2S,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

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)

N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C30H35N3O6S (565.2246)

N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(2R,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2S,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C28H34F3N3O6 (565.24)

N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide

C28H34F3N3O6 (565.24)

N-[(2R,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

C30H35N3O8 (565.2424)

3-Ethyl-5-(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-2,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one

C28H35N7O4S (565.2471)

Pelargonidin 3-sambubioside

C26H29O14+ (565.1557)

4-{[4-(dimethylamino)phenyl]diazenyl}phenyl-beta-lactoside

C26H35N3O11 (565.2271)

A glycoside comprising beta-lactose having a p-(p-dimethylaminophenylazo)phenyl group at the 1-position.

ST 19:5;O7;HexNAc

C27H35NO12 (565.2159)

ST 25:7;O7;Tau

C27H35NO10S (565.1982)

ST 26:6;O6;Tau

C28H39NO9S (565.2345)

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)

[6,9-bis(acetyloxy)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-6,7,7a,9,10,11-hexahydro-2,5-dioxatetraphen-8-yl]methyl acetate

C31H35NO9 (565.2312)

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"}

(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)

3-{[hydroxy([(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(c-hydroxycarbonimidoyl)oxan-2-yl]oxy)phosphoryl]oxy}-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid

C24H40NO12P (565.2288)

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)

3-{[hydroxy([3,4,5-trihydroxy-6-(c-hydroxycarbonimidoyl)oxan-2-yl]oxy)phosphoryl]oxy}-2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propanoic acid

C24H40NO12P (565.2288)

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)