Exact Mass: 454.13847660000005

Exact Mass Matches: 454.13847660000005

Found 500 metabolites which its exact mass value is equals to given mass value 454.13847660000005, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

epsilon-Viniferin

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

(7E,7R,8R)-epsilon-Viniferin is found in alcoholic beverages. (7E,7R,8R)-epsilon-Viniferin is isolated from leaves of wine grape (Vitis vinifera) infected with Botrytis cinere

NCI60_000330

Eupachlorin acetate

C22H27ClO8 (454.13943720000003)

Gnetin A

C28H22O6 (454.1416312)

Sirodesmin H

C20H26N2O8S (454.14097960000004)

Carfecillin

CARBENICILLIN PHENYL SODIUM

C23H22N2O6S (454.1198512)

G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic ATC code: G01AA08

Ampelopsin D

(1Z)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol

C28H22O6 (454.1416312)

Ampelopsin D is found in alcoholic beverages. Ampelopsin D is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). Ampelopsin D is found in alcoholic beverages and fruits.

trans-delta-Viniferin

5-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

C28H22O6 (454.1416312)

trans-delta-Viniferin is found in alcoholic beverages. trans-delta-Viniferin is isolated from Vitis vinifera (wine grape

KB 2

5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one

C25H26O8 (454.1627596)

Constituent of Artocarpus communis (breadfruit). KB 2 is found in breadfruit and fruits. KB 2 is found in breadfruit. KB 2 is a constituent of Artocarpus communis (breadfruit).

(6R)-5,10-methenyltetrahydrofolate

(6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-1H,2H,5H,6H,6aH,7H,8H-10lambda5-imidazo[1,5-f]pteridin-10-ylium

C20H20N7O6 (454.14750000000004)

(6R)-5,10-methenyltetrahydrofolate is also known as Anhydroleucovorin. (6R)-5,10-methenyltetrahydrofolate is considered to be practically insoluble (in water) and acidic

Carfecillin

6-[(1-Hydroxy-3-oxo-3-phenoxy-2-phenylpropylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C23H22N2O6S (454.1198512)

Gnetin C

5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

Henagliflozin

5-{4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

C22H24ClFO7 (454.1194516)

A-D-Glucopyranoside,6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-B-D-fructofuranosyl, 6-acetate2,3,4-tris(2-methylpropanoate)

2-[(Acetyloxy)methyl]-4-hydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 2-methylpropanoic acid

C18H30O13 (454.168633)

Viniferin

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

delta-Viniferin

5-[(2S,3S)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

Delta-viniferin, also known as resveratrol (E)-dehydrodimer or delta-viniferin, is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Delta-viniferin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-viniferin can be found in grape wine, which makes delta-viniferin a potential biomarker for the consumption of this food product. Delta-viniferin is a resveratrol dehydrodimer. It is an isomer of epsilon-viniferin. It can be isolated from stressed grapevine (Vitis vinifera) leaves. It is also found in plant cell cultures. or in wine. It can also be found in Rheum maximowiczii . Delta-viniferin, also known as resveratrol (E)-dehydrodimer or δ-viniferin, is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Delta-viniferin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-viniferin can be found in grape wine, which makes delta-viniferin a potential biomarker for the consumption of this food product. Delta-viniferin is a resveratrol dehydrodimer. It is an isomer of epsilon-viniferin. It can be isolated from stressed grapevine (Vitis vinifera) leaves. It is also found in plant cell cultures. or in wine. It can also be found in Rheum maximowiczii .

Pallidol

8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10(15),11,13-hexaene-4,6,12,14-tetrol

C28H22O6 (454.1416312)

Pallidol is a member of the class of compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Pallidol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pallidol can be found in grape wine, which makes pallidol a potential biomarker for the consumption of this food product. Pallidol is a resveratrol dimer. It can be found in red wine, in Cissus pallida or in Parthenocissus laetevirens .

Pelargonidin 3-O-glucoside

(1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol

C28H22O6 (454.1416312)

Marchantin G

C28H22O6 (454.1416312)

Ampelopsin F

8,16-Bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol

C28H22O6 (454.1416312)

5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol

C28H22O6 (454.1416312)

7,8,3,4,5-Pentamethoxy-6,6-dimethylpyrano[2,3:5,6]flavone

7,8,3,4,5-Pentamethoxy-6",6"-dimethylpyrano [ 2",3":5,6 ] flavone

C25H26O8 (454.1627596)

SW222254-1

C23H28Cl2O5 (454.1313698)

SCHEMBL5384624

C23H19FN2O7 (454.1176236)

MEGxm0_000378

C25H26O8 (454.1627596)

2-C-hydroxy-7,8-secoeranthin beta-D-glucopyranoside

C21H26O11 (454.14750460000005)

haplotonin

C25H26O8 (454.1627596)

dichamanetin

C28H22O6 (454.1416312)

Cneorin NP29

C25H26O8 (454.1627596)

C25H26O8

C25H26O8 (454.1627596)

prim-O-Glucosylangelicain

C21H26O11 (454.14750460000005)

Lecanorafuran B

C28H22O6 (454.1416312)

chloroscoparin

C22H27ClO8 (454.13943720000003)

Acetagastrodin

C21H26O11 (454.14750460000005)

?隆-iso-Viniferin

C28H22O6 (454.1416312)

1,5-dihydroxy-3-methoxybenzene 1-O-(6?-O-galloyl)-beta-D-glucopyranoside|1,5-dihydroxy-3-methoxybenzene-1-O-(6-O-galloyl)-beta-D-glucopyranoside|1-beta-D-(6-O-galloyl)-glucopyranosyloxy-3-methoxy-5-hydroxybenzene|1-O-beta-D-(6O-galloyl)-glucopyranosyl-3-O-methoxy-5-hydroxybenzene

1,5-dihydroxy-3-methoxybenzene 1-O-(6?-O-galloyl)-beta-D-glucopyranoside|1,5-dihydroxy-3-methoxybenzene-1-O-(6-O-galloyl)-beta-D-glucopyranoside|1-beta-D-(6-O-galloyl)-glucopyranosyloxy-3-methoxy-5-hydroxybenzene|1-O-beta-D-(6O-galloyl)-glucopyranosyl-3-O-methoxy-5-hydroxybenzene

C20H22O12 (454.1111212)

Ampelopsin B|melanoxylin A

C28H22O6 (454.1416312)

C21H30N2O5S2

C21H30N2O5S2 (454.159605)

2,4-dihydroxy-6-methylphenyl 6-O-galloyl-beta-D-glucopyranoside|2,4-dihydroxy-6-methylphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)|myrsinoside A

C20H22O12 (454.1111212)

Dillanosid

C24H22O9 (454.1263762)

Rhynchosperin C

C25H26O8 (454.1627596)

Gnetin C

C28H22O6 (454.1416312)

7-[(beta-D-glucopyranosyl)oxy]-5-hydroxy-2-hydroxymethyl-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-4H-1-benzopyran-4-one

C21H26O11 (454.14750460000005)

(2R,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f]-[1]benzofuro-5-one|(2S,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f][1]benzofuro-5-one|nigrasin C|nigrasin D

(2R*,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f]-[1]benzofuro-5-one|(2S*,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f][1]benzofuro-5-one|nigrasin C|nigrasin D

C25H26O8 (454.1627596)

(3R,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|(3S,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|nigrasin A|nigrasin B

(3R*,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|(3S*,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|nigrasin A|nigrasin B

C25H26O8 (454.1627596)

8-O-acetyl-4beta-hydroxy-3alpha-methoxy-dihydroharpagide|ajureptaside A

C18H30O13 (454.168633)

3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(5-hydroxy-2-methoxyphenyl)propan-1-one|alpha,beta-dihydro-3,6-dihydroxy-2,4,6-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone

C25H26O8 (454.1627596)

6-O-(beta-D-glucopyranosyl)-5-hydroxy-7-phenyl-3H-benzo[de]isochromen-1-one

C24H22O9 (454.1263762)

monnieriside B

C21H26O11 (454.14750460000005)

echoside C

C24H22O9 (454.1263762)

1,4-bis(4-hydroxyphenyl)-2,3-bis(3,5-dihydroxyphentyl)-(1E,3E)-butadiene|parthenocissin M

C28H22O6 (454.1416312)

1-hydroxycnidimoside A

C21H26O11 (454.14750460000005)

(E)-trimethyl 1-hydroxy-3-(3-(4-hydroxy-3-methoxyphenyl)acryloyloxy)pentane-1,3,5-tricarboxylate

C21H26O11 (454.14750460000005)

monnieriside D

C21H26O11 (454.14750460000005)

2-methoxy-4-hydroxyphenol 1-O-beta-(6-O-galloyl)glucopyranoside|2-Methyl,1-O-(6-O-3,4,5-trihydroxybenzoyl-beta-D-glucopyranoside)-1,2,4-Benzenetriol|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-galloyl)glucoside|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-O-galloyl)glucoside

2-methoxy-4-hydroxyphenol 1-O-beta-(6-O-galloyl)glucopyranoside|2-Methyl,1-O-(6-O-3,4,5-trihydroxybenzoyl-beta-D-glucopyranoside)-1,2,4-Benzenetriol|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-galloyl)glucoside|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-O-galloyl)glucoside

C20H22O12 (454.1111212)

monnieriside E

C21H26O11 (454.14750460000005)

13-deoxyplumieride

C21H26O11 (454.14750460000005)

Tafricanin A

C22H27ClO8 (454.13943720000003)

methoxy-tunicoside

C20H22O12 (454.1111212)

9-C-beta-D-olivosyl-prejadomycin

C25H26O8 (454.1627596)

3-O-beta-D-[6-(4-hydroxy-3,5-dimethoxybenzoyl)]glucopyranosyl-gamma-pyranone|6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-erigeroside|pyromeconic acid 3-O-beta-D-glucopyranoside 6-(O-4-hydroxy-3,5-dimethoxybenzoate)|pyromeconic acid 3-O-beta-D-glucopyranoside 6-O-(4-hydroxy-3,5-dimethoxybenzoate)

3-O-beta-D-[6-(4-hydroxy-3,5-dimethoxybenzoyl)]glucopyranosyl-gamma-pyranone|6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-erigeroside|pyromeconic acid 3-O-beta-D-glucopyranoside 6-(O-4-hydroxy-3,5-dimethoxybenzoate)|pyromeconic acid 3-O-beta-D-glucopyranoside 6-O-(4-hydroxy-3,5-dimethoxybenzoate)

C20H22O12 (454.1111212)

CHEMBL122095

C25H26O8 (454.1627596)

uvarigranol D

C25H26O8 (454.1627596)

Aflavarin

C24H22O9 (454.1263762)

Biseselin

C28H22O6 (454.1416312)

NSC676820

C20H22O12 (454.1111212)

(-)-balanocarpol

C28H22O6 (454.1416312)

1alpha,9beta-difuranoyloxy-2-oxo-3-enedihydro-beta-agarofuran

C25H26O8 (454.1627596)

Antibiotic BE 12406B

C24H22O9 (454.1263762)

Tetraacetylbrazilin

C24H22O9 (454.1263762)

(-)-epsilon-Viniferin

C28H22O6 (454.1416312)

11-hydroxy-sec-O-glucosylhamaudol

C21H26O11 (454.14750460000005)

Cyphostemmin A

C28H22O6 (454.1416312)

pallidol

C28H22O6 (454.1416312)

A tetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.

Trp Cys Phe

C23H26N4O4S (454.16746760000007)

DGMG (18:2)

C18H30O13 (454.168633)

Acegastrodine

(2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

C21H26O11 (454.14750460000005)

Epsilon-Viniferin

1,3-BENZENEDIOL, 5-(2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)-3-BENZOFURANYL)-, (2R-(2.ALPHA.,3.BETA.,4(E)))-

C28H22O6 (454.1416312)

(-)-trans-epsilon-viniferin is a stilbenoid that is the (-)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol. It has a role as a metabolite. It is a member of 1-benzofurans, a polyphenol and a stilbenoid. It is functionally related to a trans-resveratrol. It is an enantiomer of a (+)-trans-epsilon-viniferin. Epsilon-viniferin is a natural product found in Dipterocarpus grandiflorus, Dipterocarpus hasseltii, and other organisms with data available. A stilbenoid that is the (-)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.

nafcillin sodium

C21H23N2NaO6S (454.11744580000004)

methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

NCGC00169587-03!methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

NCGC00347613-02!5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O9 (454.1263762)

Resveratrol dimer

C28H22O6 (454.1416312)

methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H22O6 (454.1416312)

Epsilon-viniferin

C28H22O6 (454.1416312)

Annotation level-1

Marchantin G 1

C28H22O6 (454.1416312)

CONFIDENCE Predicted

Marchantin G 2

C28H22O6 (454.1416312)

CONFIDENCE Predicted

Marchantin G 3

C28H22O6 (454.1416312)

CONFIDENCE Predicted

Marchantin G 4

C28H22O6 (454.1416312)

CONFIDENCE Predicted

Marchantin G 5

C28H22O6 (454.1416312)

CONFIDENCE Predicted

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]

C24H22O9 (454.1263762)

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]

C24H22O9 (454.1263762)

Hydroxy thaxtomin A

C22H22N4O7 (454.1488422)

CP-671305

C23H19FN2O7 (454.1176236)

CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4426 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4422; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4449 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4416 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8758; ORIGINAL_PRECURSOR_SCAN_NO 8756 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 INTERNAL_ID 361; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8794; ORIGINAL_PRECURSOR_SCAN_NO 8792 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8805; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8809

Ala Cys Asp Phe

(3S)-3-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Ala Cys Phe Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Ala Cys Met Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O5S3 (454.137825)

Ala Asp Cys Phe

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Ala Asp Phe Cys

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Ala Asp Ser Tyr

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Ala Asp Tyr Ser

(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Ala Phe Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Ala Phe Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Ala Met Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O5S3 (454.137825)

Ala Met Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H30N4O5S3 (454.137825)

Ala Ser Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Ala Ser Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C19H26N4O9 (454.16997060000006)

Ala Tyr Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Ala Tyr Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]butanedioic acid

C19H26N4O9 (454.16997060000006)

Cys Ala Asp Phe

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Cys Ala Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-phenylpropanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Cys Ala Met Met

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

C16H30N4O5S3 (454.137825)

Cys Cys Glu Thr

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

C15H26N4O8S2 (454.1191996)

Cys Cys Met Val

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

C16H30N4O5S3 (454.137825)

Cys Cys Thr Glu

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C15H26N4O8S2 (454.1191996)

Cys Cys Val Met

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O5S3 (454.137825)

Cys Asp Ala Phe

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Cys Asp Phe Ala

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Cys Asp Met Ser

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

C15H26N4O8S2 (454.1191996)

Cys Asp Ser Met

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

C15H26N4O8S2 (454.1191996)

Cys Glu Cys Thr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1191996)

Cys Glu Phe Gly

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Cys Glu Gly Phe

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

C19H26N4O7S (454.15221260000004)

Cys Glu Thr Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1191996)

Cys Phe Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Cys Phe Asp Ala

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Cys Phe Glu Gly

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid

C19H26N4O7S (454.15221260000004)

Cys Phe Gly Glu

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

C19H26N4O7S (454.15221260000004)

Cys Gly Glu Phe

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

C19H26N4O7S (454.15221260000004)

Cys Gly Phe Glu

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

C19H26N4O7S (454.15221260000004)

Cys Met Ala Met

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

C16H30N4O5S3 (454.137825)

Cys Met Cys Val

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

C16H30N4O5S3 (454.137825)

Cys Met Asp Ser

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

C15H26N4O8S2 (454.1191996)

Cys Met Met Ala

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

C16H30N4O5S3 (454.137825)

Cys Met Ser Asp

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

C15H26N4O8S2 (454.1191996)

Cys Met Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Cys Met Val Cys

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

C16H30N4O5S3 (454.137825)

Cys Ser Asp Met

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

C15H26N4O8S2 (454.1191996)

Cys Ser Met Asp

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

C15H26N4O8S2 (454.1191996)

Cys Thr Cys Glu

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H26N4O8S2 (454.1191996)

Cys Thr Glu Cys

(4S)-4-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1191996)

Cys Thr Met Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Cys Thr Thr Met

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Cys Val Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O5S3 (454.137825)

Cys Val Met Cys

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

C16H30N4O5S3 (454.137825)

Asp Ala Cys Phe

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Ala Phe Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Ala Ser Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Ala Tyr Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Cys Ala Phe

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Cys Phe Ala

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Cys Met Ser

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

C15H26N4O8S2 (454.1191996)

Asp Cys Ser Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C15H26N4O8S2 (454.1191996)

Asp Phe Ala Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Phe Cys Ala

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Asp Phe Ser Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Gly Thr Tyr

(3S)-3-amino-3-[({[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Gly Tyr Thr

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

C19H26N4O9 (454.16997060000006)

Asp Met Cys Ser

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

C15H26N4O8S2 (454.1191996)

Asp Met Ser Cys

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

C15H26N4O8S2 (454.1191996)

Asp Ser Ala Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Ser Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C15H26N4O8S2 (454.1191996)

Asp Ser Phe Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Ser Met Cys

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

C15H26N4O8S2 (454.1191996)

Asp Ser Ser Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Ser Tyr Ala

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Thr Gly Tyr

(3S)-3-amino-3-{[(1S,2R)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Thr Tyr Gly

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Tyr Ala Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Tyr Gly Thr

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

C19H26N4O9 (454.16997060000006)

Asp Tyr Ser Ala

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Asp Tyr Thr Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-[(carboxymethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Glu Cys Cys Thr

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

C15H26N4O8S2 (454.1191996)

Glu Cys Phe Gly

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Glu Cys Gly Phe

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

C19H26N4O7S (454.15221260000004)

Glu Cys Thr Cys

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

C15H26N4O8S2 (454.1191996)

Glu Phe Cys Gly

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Glu Phe Gly Cys

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

C19H26N4O7S (454.15221260000004)

Glu Gly Cys Phe

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

C19H26N4O7S (454.15221260000004)

Glu Gly Phe Cys

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

C19H26N4O7S (454.15221260000004)

Glu Gly Ser Tyr

(4S)-4-amino-4-[({[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]butanoic acid

C19H26N4O9 (454.16997060000006)

Glu Gly Tyr Ser

(4S)-4-amino-4-[({[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]butanoic acid

C19H26N4O9 (454.16997060000006)

Glu Ser Gly Tyr

(4S)-4-amino-4-{[(1S)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Glu Ser Tyr Gly

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Glu Thr Cys Cys

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

C15H26N4O8S2 (454.1191996)

Glu Tyr Gly Ser

(4S)-4-amino-4-{[(1S)-1-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Glu Tyr Ser Gly

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Phe Ala Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-sulfanylpropanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Phe Ala Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Phe Cys Ala Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]propanamido]butanedioic acid

C19H26N4O7S (454.15221260000004)

Phe Cys Asp Ala

(3S)-3-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Phe Cys Glu Gly

(4S)-4-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid

C19H26N4O7S (454.15221260000004)

Phe Cys Gly Glu

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

C19H26N4O7S (454.15221260000004)

Phe Asp Ala Cys

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Phe Asp Cys Ala

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O7S (454.15221260000004)

Phe Asp Ser Ser

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Phe Glu Cys Gly

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Phe Glu Gly Cys

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

C19H26N4O7S (454.15221260000004)

Phe Gly Cys Glu

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

C19H26N4O7S (454.15221260000004)

Phe Gly Glu Cys

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

C19H26N4O7S (454.15221260000004)

Phe Ser Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Phe Ser Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]butanedioic acid

C19H26N4O9 (454.16997060000006)

Gly Cys Glu Phe

(4S)-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Gly Cys Phe Glu

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

C19H26N4O7S (454.15221260000004)

Gly Asp Thr Tyr

(3S)-3-(2-aminoacetamido)-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Gly Asp Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C19H26N4O9 (454.16997060000006)

Gly Glu Cys Phe

(4S)-4-(2-aminoacetamido)-4-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Gly Glu Phe Cys

(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Gly Glu Ser Tyr

(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Gly Glu Tyr Ser

(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Gly Phe Cys Glu

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

C19H26N4O7S (454.15221260000004)

Gly Phe Glu Cys

(4S)-4-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C19H26N4O7S (454.15221260000004)

Gly Ser Glu Tyr

(4S)-4-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C19H26N4O9 (454.16997060000006)

Gly Ser Tyr Glu

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

C19H26N4O9 (454.16997060000006)

Gly Thr Asp Tyr

(3S)-3-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O9 (454.16997060000006)

Gly Thr Tyr Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C19H26N4O9 (454.16997060000006)

Gly Tyr Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C19H26N4O9 (454.16997060000006)

Trp Phe Cys

C23H26N4O4S1 (454.16746760000007)

Cys Phe Trp

C23H26N4O4S1 (454.16746760000007)

Trp Cys Phe

C23H26N4O4S1 (454.16746760000007)

Met Ala Cys Met

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

C16H30N4O5S3 (454.137825)

Met Ala Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H30N4O5S3 (454.137825)

Met Cys Ala Met

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

C16H30N4O5S3 (454.137825)

Met Cys Cys Val

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

C16H30N4O5S3 (454.137825)

Met Cys Asp Ser

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

C15H26N4O8S2 (454.1191996)

Met Cys Met Ala

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

C16H30N4O5S3 (454.137825)

Met Cys Ser Asp

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

C15H26N4O8S2 (454.1191996)

Met Cys Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Met Cys Val Cys

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

C16H30N4O5S3 (454.137825)

Met Asp Cys Ser

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

C15H26N4O8S2 (454.1191996)

Met Asp Ser Cys

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

C15H26N4O8S2 (454.1191996)

Cys Trp Phe

C23H26N4O4S1 (454.16746760000007)

Met Met Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-sulfanylpropanoic acid

C16H30N4O5S3 (454.137825)

Met Met Cys Ala

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

C16H30N4O5S3 (454.137825)

Met Met Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C16H30N4O7S2 (454.155583)

Met Ser Cys Asp

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

C15H26N4O8S2 (454.1191996)

Met Ser Asp Cys

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

C15H26N4O8S2 (454.1191996)

Met Ser Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C16H30N4O7S2 (454.155583)

Met Ser Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Met Thr Cys Thr

(2S,3R)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Met Thr Thr Cys

(2R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C16H30N4O7S2 (454.155583)

Met Val Cys Cys

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

C16H30N4O5S3 (454.137825)

Phe Trp Cys

C23H26N4O4S1 (454.16746760000007)

Ser Cys Asp Met

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

C15H26N4O8S2 (454.1191996)

Ser Cys Met Asp

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

C15H26N4O8S2 (454.1191996)

Ser Asp Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C15H26N4O8S2 (454.1191996)

Ser Asp Met Cys

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

C15H26N4O8S2 (454.1191996)

Ser Met Cys Asp

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

C15H26N4O8S2 (454.1191996)

Ser Met Asp Cys

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

C15H26N4O8S2 (454.1191996)

Ser Met Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C16H30N4O7S2 (454.155583)

Ser Met Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Ser Ser Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Thr Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H26N4O8S2 (454.1191996)

Thr Cys Glu Cys

(4S)-4-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1191996)

Thr Cys Met Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Phe Cys Trp

C23H26N4O4S1 (454.16746760000007)

Thr Cys Thr Met

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Thr Glu Cys Cys

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

C15H26N4O8S2 (454.1191996)

Thr Met Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C16H30N4O7S2 (454.155583)

Thr Met Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C16H30N4O7S2 (454.155583)

Thr Thr Cys Met

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O7S2 (454.155583)

Thr Thr Met Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H30N4O7S2 (454.155583)

Val Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H30N4O5S3 (454.137825)

Val Cys Met Cys

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

C16H30N4O5S3 (454.137825)

Val Met Cys Cys

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

C16H30N4O5S3 (454.137825)

5,2,4,5-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6,6-dimethylpyrano[2,3:7,8]flavone

C25H26O8 (454.1627596)

His-TyrMe-OH

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

C22H22N4O7 (454.1488422)

Nap-Met-OH

(S)-5-(methylthio)-2-(3-(naphthalen-2-ylmethoxy)-4-nitrobenzamido)pentanoic acid

C23H22N2O6S (454.1198512)

TyrMe-His-OH

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

C22H22N4O7 (454.1488422)

Met-Nap-OH

(S)-2-(3-(2-(methylthio)ethoxy)-4-nitrobenzamido)-4-(naphthalen-2-yl)butanoic acid

C23H22N2O6S (454.1198512)

trans-delta-Viniferin

5-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

C28H22O6 (454.1416312)

ampelopsin

(1Z)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol

C28H22O6 (454.1416312)

5-iodo-7Z,10Z,13Z,16Z,19Z-docosapentaen-4-olide

5-iodo-4-hydroxy-docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid delta lactone

C22H31IO2 (454.13686959999995)

Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate

C23H22N2O8 (454.1376092)

(R)-(+)-2-AMINO-4-METHYL-1,1-DIPHENYLPENTANE

C32H23OP (454.1486438)

4-methoxyphenyl 2,3,4,6-tetra-o-acetyl-beta-d-glucopyanoside

C21H26O11 (454.14750460000005)

Pigment Red 170

C26H22N4O4 (454.1640972)

Sucrose acetate isobutyrate

[2-(Acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate

C18H30O13 (454.168633)

4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-glucopyranoside

C21H26O9S (454.1297466000001)

Dichlorisone acetate

C23H28Cl2O5 (454.1313698)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids Dichlorisone acetate is a synthetic glucocorticoid corticosteroid used as an anti-inflammatory agent.

tetrabenzylzirconium

C28H28Zr (454.12379680000004)

4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSIDE

C21H26O11 (454.14750460000005)

(R)-2-Diphenyphosphino-2-hydroxyl-1,1-binaphthyl

C32H23OP (454.1486438)

dicreatine citrate

C14H26N6O11 (454.1659486)

n-Octyl triphenylphosphonium bromide

C26H32BrP (454.1424862)

4,4-Bis(diethoxyphosphono-methyl)-Biphenyl

C22H32O6P2 (454.16740319999997)

4-methoxyphenyl 2,3,4,6-tetra-o-acetyl-alpha-d-mannopyranoside

C21H26O11 (454.14750460000005)

3-(3-Fluorophenyl)-1-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-2-propen-1-one

C29H23FO4 (454.158029)

2-Diphenyphosphino-2-hydroxyl-1,1-binaphthyl

C32H23OP (454.1486438)

Tetraethyl ranelate

C20H26N2O8S (454.14097960000004)

LOFEPRAMINE HYDROCHLORIDE

C26H28Cl2N2O (454.1578578)

D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione

C23H19FN2O7 (454.1176236)

Disodium Laureth Sulfosuccinate

C18H32Na2O8S (454.16131920000004)

TUNGSTEN (VI) ETHOXIDE

C12H30O6W (454.15518099999997)

Nafcillin sodium monohydrate

Nafcillin sodium salt monohydrate

C21H23N2NaO6S (454.11744580000004)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

Henagliflozin

C22H24ClFO7 (454.1194516)

5-Chloro-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-5-Chloro-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Sulfonamide

C19H23ClN4O5S (454.10776180000005)

Vatinoxan Hydrochloride

C20H27ClN4O4S (454.1441452000001)

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist

(+)-epsilon-Viniferin

(7E,7S,8S)-epsilon-Viniferin

C28H22O6 (454.1416312)

Constituent of wine grapes Vitis vinifera. (7E,7S,8S)-epsilon-Viniferin is found in alcoholic beverages and fruits.

Quadrangularin A

C28H22O6 (454.1416312)

An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.

Ampelopsin B

C28H22O6 (454.1416312)

A heterotetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.

Cis-epsilon-viniferin

(Z)-epsilon-Viniferin

C28H22O6 (454.1416312)

Isolated from wine grapes. cis-epsilon-Viniferin is found in fruits.

Phenol, 4-((5-(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinyl)amino)-

C27H23ClN4O (454.1560298)

N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-2-oxo-1-benzopyran-3-carboxamide

C27H22N2O3S (454.1351062)

(R)-2-(4-((((2-((Benzo(1,3)dioxol-5-yl)oxy)pyridin-3-yl)carbonyl)amino)methyl)-3-fluorophenoxy)propionic acid

C23H19FN2O7 (454.1176236)

4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}butyl dihydrogen phosphate

C14H23N4O11P (454.1100898)

(2s)-2-[3-(Aminomethyl)phenyl]-3-[(R)-Hydroxy{(1r)-2-Methyl-1-[(Phenylsulfonyl)amino]propyl}phosphoryl]propanoic Acid

C20H27N2O6PS (454.13273720000007)

4-{2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}butyl dihydrogen phosphate

C14H23N4O11P (454.1100898)

(6R)-5,10-methenyltetrahydrofolate

C20H20N7O6- (454.14750000000004)

A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of (6R)-5,10-methenyltetrahydrofolic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Viniferin

Cis-epsilon-viniferin

C28H22O6 (454.1416312)

3-(3,5-Dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-4-hydroxystyryl]-2,3-dihydrobenzofuran

C28H22O6 (454.1416312)

delta-Viniferin

C28H22O6 (454.1416312)

nigrasin C

C25H26O8 (454.1627596)

An extended flavonoid that is 2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromene substituted by hydroxy groups at positions 4, 5a and 8, a 2-hydroxypropan-2-yl group at position 2, a prenyl group at position 10b and an oxo group at position 5. It has been isolated from the twigs of Morus nigra.

nigrasin D

C25H26O8 (454.1627596)

An extended flavonoid that is the 2R*-diastereomer of nigrasin C. It has been isolated from the twigs of Morus nigra.

nigrasin A

C25H26O8 (454.1627596)

An extended flavonoid that is 3,4,6a,11b-tetrahydro-2H,6H-[1]benzofuro[3,2-b]pyrano[3,2-g]chromene substituted by hydroxy groups at positions 3, 5, 6a and 9, geminal methyl groups at positions 2, an oxo group at position 6 and a prenyl group at position 11b. It has been isolated from the twigs of Morus nigra.

nigrasin B

C25H26O8 (454.1627596)

An extended flavonoid that is the 3S*-diastereomer of nigrasin A. It has been isolated from the twigs of Morus nigra.

6-[(2r)-4-(4-Benzyl-7-Chlorophthalazin-1-Yl)-2-Methylpiperazin-1-Yl]pyridine-3-Carbonitrile

C26H23ClN6 (454.1672628)

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone

C24H23ClN2O5 (454.1295418)

(+)-cis-epsilon-Viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (+)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.

N-[4-(butylsulfamoyl)phenyl]-2-phenyl-2-(phenylthio)acetamide

C24H26N2O3S2 (454.13847660000005)

S-hexanoyl-4-phosphopantetheine(2-)

C17H31N2O8PS-2 (454.1538656)

4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide

C23H26N4O4S (454.16746760000007)

N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide

C24H23ClN2O3S (454.1117838)

N-[(4-chlorophenyl)methyl]-5,12-dioxo-2R-phenyl-1-oxa-4-azacyclododec-8E-ene-6S-acetamide

C25H27ClN2O4 (454.16592520000006)

(2-anilino-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C27H22N2O3S (454.1351062)

(2R,3S)-cis-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2R,3S)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.

(2S,3R)-cis-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2S,3R)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.

(2S,3R)-trans-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2S,3R)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.

4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

[(3aS,4S,9bS)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C23H26N4O4S (454.16746760000007)

[(2S,3R)-3-phenyl-1-(phenylmethyl)sulfonyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol

C22H25F3N2O3S (454.1537896)

4-fluoro-N-[2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

4-fluoro-N-[2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

4-fluoro-N-[2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

[(3aR,4R,9bR)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C23H26N4O4S (454.16746760000007)

(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6R,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6R,7R,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

4-fluoro-N-[2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

4-fluoro-N-[2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

4-fluoro-N-[2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

4-fluoro-N-[2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide

C21H24F2N2O5S (454.13739180000005)

[(3aR,4S,9bR)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C23H26N4O4S (454.16746760000007)

(6S,7S,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6R,7S,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6R,7S,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6S,7S,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

(6S,7R,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C28H23FN2O3 (454.169262)

Phe-Trp-Cys

C23H26N4O4S (454.16746760000007)

Cys-Phe-Trp

C23H26N4O4S (454.16746760000007)

Cys-Trp-Phe

C23H26N4O4S (454.16746760000007)

Phe-Cys-Trp

C23H26N4O4S (454.16746760000007)

Trp-Cys-Phe

C23H26N4O4S (454.16746760000007)

Trp-Phe-Cys

C23H26N4O4S (454.16746760000007)

3,4,5-Trihydroxy-6-[[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-9-yl]oxy]oxane-2-carboxylic acid

C20H22O12 (454.1111212)

(2R,5S)-1,4-Dimethyl-2-hydroxy-2-(3,4-dihydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione

C22H22N4O7 (454.1488422)

sodium;(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate

C21H23N2NaO6S (454.11744580000004)

4,7-DI(Para-ethoxyphenyl)-6-(pyridin-4-YL)-1,2,5-thiadiazolo(3,4-C)pyridine

C26H22N4O2S (454.1463392)

Eupachlorin acetate

C22H27ClO8 (454.13943720000003)

(2S,3S)-trans-delta-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2S,3S)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol.

(+)-trans-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (+)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.

(2R,3S)-trans-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2R,3S)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.

(-)-cis-epsilon-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (-)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.

S-hexanoyl-4-phosphopantetheine(2-)

C17H31N2O8PS (454.1538656)

An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-hexanoyl-4-phosphopantetheine; major species at pH 7.3.

(2R,3R)-trans-delta-viniferin

C28H22O6 (454.1416312)

A stilbenoid that is the (2R,3R)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol.

LPG 12:3;O2

C18H31O11P (454.16039059999997)

ST 18:0;O8;S

C18H30O11S (454.15087500000004)

ST 21:5;O6;S

C21H26O9S (454.1297466000001)

ST 22:4;O5;S

C22H30O8S (454.16613)

MK-3903

C27H19ClN2O3 (454.1084134)

MK-3903 is a potent and selective AMP-activated protein kinase (AMPK) activator with an EC50 of 8 nM.

SIRT6 activator 12q

C31H22N2O2 (454.1681192)

SIRT6 activator 12q is potent, selective and orally active SIRT6 activator with IC50 values of 171.20, >200, >200, >200, 0.58 μM for SIRT1, SIRT2, SIRT3, SIRT5, SIRT6, respectively. SIRT6 activator 12q inhibits cell growth and migration. SIRT6 activator 12q induces Apoptosis and cell cycle arrest at G2 phase. SIRT6 activator 12q shows anticancer activity[1].

5-acetyl-3,10,10,14,18-pentamethyl-20-methylidene-9,17,19-trioxahexacyclo[9.7.1.1³,¹⁵.0¹,¹⁵.0⁵,¹⁴.0⁶,¹¹]icos-6-ene-2,8,12,16-tetrone

C25H26O8 (454.1627596)

8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-3,5,12,14-tetrol

C28H22O6 (454.1416312)

ethyl (2r)-4-hydroxy-2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

5,7-dihydroxy-2-(hydroxymethyl)-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)chromen-4-one

C21H26O11 (454.14750460000005)

(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate

C20H22O12 (454.1111212)

4-hydroxy-2-(2-hydroxypropan-2-yl)-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

C21H26O11 (454.14750460000005)

4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,2-diol

C28H22O6 (454.1416312)

4-hydroxy-6-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one

C25H26O8 (454.1627596)

3'-hydroxy-10'-(hydroxymethyl)-4,4,5,11'-tetramethyl-3,9',12'-trioxo-13'-thia-8',11'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.1.0¹,⁸.0³,⁷]tridecan]-4'-yl acetate

C20H26N2O8S (454.14097960000004)

(1z,2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

C28H22O6 (454.1416312)

16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-3(12),4(9),5,10,18,20,22-heptaen-13-one

C25H26O8 (454.1627596)

methyl 2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

(1e,2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

C28H22O6 (454.1416312)

(1s,3r,4r,4as,5r,7s,7as)-4,4a,5-trihydroxy-3-methoxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrocyclopenta[c]pyran-7-yl acetate

C18H30O13 (454.168633)

(4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate

C20H22O12 (454.1111212)

5-{5-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

C28H22O6 (454.1416312)

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3r)-3-hydroxybutanoate

C24H22O9 (454.1263762)

7-epiphlomiol

C17H26O14 (454.1322496)

{"Ingredient_id": "HBIN013183","Ingredient_name": "7-epiphlomiol","Alias": "NA","Ingredient_formula": "C17H26O14","Ingredient_Smile": "CC1(C(C(C2(C1(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","Ingredient_weight": "454.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6996","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "24721557","DrugBank_id": "NA"}

albumin

C23H22Cl2N5O+ (454.1201322)

{"Ingredient_id": "HBIN015092","Ingredient_name": "albumin","Alias": "NA","Ingredient_formula": "C23H22Cl2N5O+","Ingredient_Smile": "C[N+](C)(C)C.C1CC(=C(C1=CC(C#N)C#N)Cl)C=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

methyl 4-hydroxy-2-{[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

2h-1,3-benzodioxol-5-yl[4-(2h-1,3-benzodioxol-5-ylmethyl)-5-oxooxolan-3-yl]methyl 3-methylbutanoate

C25H26O8 (454.1627596)

4,7-bis(acetyloxy)-4'-hydroxy-6',7-dimethyl-6,8-dioxo-4,5-dihydro-1h-spiro[2-benzopyran-3,2'-oxan]-3'-yl acetate

C21H26O11 (454.14750460000005)

5-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

C28H22O6 (454.1416312)

(1s,8r,9s,16r)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

C28H22O6 (454.1416312)

cyphostemmin b

C28H22O6 (454.1416312)

ethyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

(1r,4s,5s,8s,9s,11r,14s,15s,18s,19s)-5,8,15,18-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,12-dione

C20H26N2O6S2 (454.1232216)

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-4-(acetyloxy)-2-methylbut-2-enoate

C22H27ClO8 (454.13943720000003)

(2s)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

C21H26O11 (454.14750460000005)

(1s,5r,6r,7s,9s)-7-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodec-2-en-5-yl furan-3-carboxylate

C25H26O8 (454.1627596)

(+)-ε-viniferin

C28H22O6 (454.1416312)

(1r,3r,5r,11r,14s,15r,18s)-5-acetyl-3,10,10,14,18-pentamethyl-20-methylidene-9,17,19-trioxahexacyclo[9.7.1.1³,¹⁵.0¹,¹⁵.0⁵,¹⁴.0⁶,¹¹]icos-6-ene-2,8,12,16-tetrone

C25H26O8 (454.1627596)

methyl (2r)-4-hydroxy-2-{[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

[6-(2,4-dihydroxy-6-methylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H22O12 (454.1111212)

(1s,8r,9r,16s)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

C28H22O6 (454.1416312)

5,6-dimethoxy-2,2-dimethyl-8-(3,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-10-one

C25H26O8 (454.1627596)

[3,4,5-trihydroxy-6-(4-hydroxy-2-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H22O12 (454.1111212)

methyl (2e,6e)-3,5-dimethoxy-7-{2-[2-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-4-methylhepta-2,6-dienoate

C21H30N2O5S2 (454.159605)

(1r,4r,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

C20H26N2O6S2 (454.1232216)

(1s,5r,6r,7s,9r)-7-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodec-2-en-5-yl furan-3-carboxylate

C25H26O8 (454.1627596)

[3,4,5-trihydroxy-6-(3-hydroxy-5-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H22O12 (454.1111212)

(r)-2h-1,3-benzodioxol-5-yl[(3r,4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-5-oxooxolan-3-yl]methyl 3-methylbutanoate

C25H26O8 (454.1627596)

(1r,8r,9s,16r)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

C28H22O6 (454.1416312)

5-hydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-(hydroxymethyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H26O11 (454.14750460000005)

(1s,4r,5r,9s,11s,14r,15r,19s)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

C20H26N2O6S2 (454.1232216)

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3s)-3-hydroxybutanoate

C24H22O9 (454.1263762)

(1e,2s,3s)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

C28H22O6 (454.1416312)

(1r,4s,5r,6s)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-4-ethoxy-5-hydroxycyclohex-2-en-1-yl benzoate

C25H26O8 (454.1627596)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3-hydroxy-5-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H22O12 (454.1111212)

(1r,8r,16r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,10,12,14(17)-hexaene-4,6,12-triol

C28H22O6 (454.1416312)

(4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-4a,7,8-trihydroxy-3-methyl-5,12b-dihydro-4h-tetraphene-1,6-dione

C25H26O8 (454.1627596)

methyl (2s,3s,18r)-15-hydroxy-16,19-dioxo-8,10,17-trioxa-13,20-diazaoctacyclo[12.9.2.1¹,¹⁵.0²,²⁰.0³,¹⁴.0³,¹⁸.0⁴,¹².0⁷,¹¹]hexacosa-4(12),5,7(11)-triene-13-carboxylate

C23H22N2O8 (454.1376092)

methyl 4'-ethyl-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

C21H26O11 (454.14750460000005)

9-(4,5-dihydroxy-6-methyloxan-2-yl)-4a,7,8-trihydroxy-3-methyl-5,12b-dihydro-4h-tetraphene-1,6-dione

C25H26O8 (454.1627596)

methyl (2r)-4-hydroxy-2-{[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate

C25H26O8 (454.1627596)

7-(acetyloxy)-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

C22H27ClO8 (454.13943720000003)

(1r,8s,9s,16r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,10,12,14(17)-hexaene-4,9,12-triol

C28H22O6 (454.1416312)

3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(5-hydroxy-2-methoxyphenyl)propan-1-one

C25H26O8 (454.1627596)

(2s,3s,4e)-1-(acetyloxy)-3,5-bis[4-(acetyloxy)phenyl]pent-4-en-2-yl acetate

C25H26O8 (454.1627596)

6-(acetyloxy)-5-[(benzoyloxy)methyl]-4-ethoxy-5-hydroxycyclohex-2-en-1-yl benzoate

C25H26O8 (454.1627596)

methyl (1s,2r,3r,14r,15r,18s)-15-hydroxy-16,19-dioxo-8,10,17-trioxa-13,20-diazaoctacyclo[12.9.2.1¹,¹⁵.0²,²⁰.0³,¹⁴.0³,¹⁸.0⁴,¹².0⁷,¹¹]hexacosa-4(12),5,7(11)-triene-13-carboxylate

methyl (1s,2r,3r,14r,15r,18s)-15-hydroxy-16,19-dioxo-8,10,17-trioxa-13,20-diazaoctacyclo[12.9.2.1¹,¹⁵.0²,²⁰.0³,¹⁴.0³,¹⁸.0⁴,¹².0⁷,¹¹]hexacosa-4(12),5,7(11)-triene-13-carboxylate

C23H22N2O8 (454.1376092)