Exact Mass: 454.1463392

Exact Mass Matches: 454.1463392

Found 500 metabolites which its exact mass value is equals to given mass value 454.1463392, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Methotrexate

(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid

C20H22N8O5 (454.1713082)

Methotrexate is only found in individuals that have used or taken this drug. It is an antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of tetrahydrofolate dehydrogenase and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA. [PubChem]Methotrexate anti-tumor activity is a result of the inhibition of folic acid reductase, leading to inhibition of DNA synthesis and inhibition of cellular replication. The mechanism involved in its activity against rheumatoid arthritis is not known. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; INTERNAL_ID 2730 D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Corona-virus KEIO_ID M048 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

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

Amethopterin

2-[(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate

C20H22N8O5 (454.1713082)

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)

2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid

C24H26N2O7 (454.1739926)

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)

A natural product found in Kopsia grandifolia.

2,7-Dihydroxy-1,3-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene

C29H26O5 (454.17801460000004)

Curtisian L

C24H22O9 (454.1263762)

Epicoccin G

C20H26N2O6S2 (454.1232216)

Plagiochin C

C29H26O5 (454.17801460000004)

2,7-Dihydroxy-1,6-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene

C29H26O5 (454.17801460000004)

Lupinisoflavone F

C25H26O8 (454.1627596)

Marchantin M

C29H26O5 (454.17801460000004)

Paucidactine B

C23H22N2O8 (454.1376092)

Kopsinarine

C24H26N2O7 (454.1739926)

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)

NSC635035

C24H26N2O7 (454.1739926)

Lecanorafuran B

C28H22O6 (454.1416312)

chloroscoparin

C22H27ClO8 (454.13943720000003)

prunifoline A

C24H26N2O7 (454.1739926)

Acetagastrodin

C21H26O11 (454.14750460000005)

?隆-iso-Viniferin

C28H22O6 (454.1416312)

Ampelopsin B|melanoxylin A

C28H22O6 (454.1416312)

C21H30N2O5S2

C21H30N2O5S2 (454.159605)

Dillanosid

C24H22O9 (454.1263762)

Dibutanoyl-Hydorxynybomycin

C24H26N2O7 (454.1739926)

CHEMBL181587

C29H26O5 (454.17801460000004)

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)

monnieriside E

C21H26O11 (454.14750460000005)

13-deoxyplumieride

C21H26O11 (454.14750460000005)

Tafricanin A

C22H27ClO8 (454.13943720000003)

(E)-2,3-dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxystilbene|(E)-2,3-dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxystilbene

C29H26O5 (454.17801460000004)

SCHEMBL1974264

C29H26O5 (454.17801460000004)

9-C-beta-D-olivosyl-prejadomycin

C25H26O8 (454.1627596)

CHEMBL122095

C25H26O8 (454.1627596)

uvarigranol D

C25H26O8 (454.1627596)

Aflavarin

C24H22O9 (454.1263762)

Biseselin

C28H22O6 (454.1416312)

(-)-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)

Quinidine sulfate dihydrate

C21H30N2O7S (454.177363)

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.

Methotrexate

L(+)-Amethopterin hydrate

C20H22N8O5 (454.1713082)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

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)

Grandilodine B

C24H26N2O7 (454.1739926)

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