Exact Mass: 420.1362

Exact Mass Matches: 420.1362

Found 295 metabolites which its exact mass value is equals to given mass value 420.1362, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Isorhapontin

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxy-3-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C21H24O9 (420.142)

Isorhapontin is a stilbenoid and a glycoside. Isorhapontin is a natural product found in Rheum undulatum, Veratrum taliense, and other organisms with data available.

Melampodin A

methyl (2E,4S,6R,7E,9S,10S,11S)-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate

C21H24O9 (420.142)

Glycyphyllin

1- [ 2- (alpha-L-Rhamnopyranosyloxy) -4,6-dihydroxyphenyl ] -3- (4-hydroxyphenyl) -1-propanone

C21H24O9 (420.142)

Rose oxide (cis)

(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(e)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C21H24O9 (420.142)

Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].

Secogaliosdie

C17H24O12 (420.1268)

9-bromo-16-methylpregn-4-ene-3,11,20-trione

9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione

C22H29BrO3 (420.13)

2',4',6'-Trihydroxydihydrochalcone 2'-glucoside

1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one

C21H24O9 (420.142)

2,4,6-Trihydroxydihydrochalcone 2-glucoside is found in pomes. 2,4,6-Trihydroxydihydrochalcone 2-glucoside occurs in Malus species. Occurs in Malus subspecies 2,4,6-Trihydroxydihydrochalcone 2-glucoside is found in malus (crab apple) and pomes.

2',4',6'-Trihydroxydihydrochalcone 4'-glucoside

1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one

C21H24O9 (420.142)

2,4,6-Trihydroxydihydrochalcone 4-glucoside is found in pomes. 2,4,6-Trihydroxydihydrochalcone 4-glucoside occurs in Malus species. Occurs in Malus subspecies 2,4,6-Trihydroxydihydrochalcone 4-glucoside is found in malus (crab apple) and pomes.

(2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O9 (420.142)

Sesamoside

Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

C17H24O12 (420.1268)

Sesamoside is a natural product found in Pedicularis muscicola, Phlomoides umbrosa, and other organisms with data available. Sesamoside is a iridoid isolated from the aerial part of? Lamiophlomis rotata. Sesamoside has antiodant and antiglycation activities[1]. Sesamoside is a iridoid isolated from the aerial part of? Lamiophlomis rotata. Sesamoside has antiodant and antiglycation activities[1].

Rhaponticin

(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C21H24O9 (420.142)

Trans-rhaponticin is a rhaponticin in which the double bond adopts a trans-configuration. It possesses a range of pharmacological activities including antitumour, antiinflammatory, antilipemic and neuroprotective activities. It has a role as an anti-inflammatory agent, a plant metabolite, a neuroprotective agent, an EC 2.3.1.85 (fatty acid synthase) inhibitor, an antineoplastic agent, an apoptosis inducer, an angiogenesis inhibitor, a hypoglycemic agent, an anti-allergic agent and an antilipemic drug. Rhapontin is a natural product found in Rheum compactum, Rheum hotaoense, and other organisms with data available. A rhaponticin in which the double bond adopts a trans-configuration. It possesses a range of pharmacological activities including antitumour, antiinflammatory, antilipemic and neuroprotective activities. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].

Gnetifolin E

Isorhapontigenin 12-beta-D-glucoside

C21H24O9 (420.142)

6-O-.beta.-D-Apiofuranosyldianthoside

Maltol 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside

C17H24O12 (420.1268)

confusoside

1- [ 4- (beta-D-Glucopyranosyloxy) -2-hydroxyphenyl ] -3- (4-hydroxyphenyl) -1-propanone

C21H24O9 (420.142)

Afzelechin-3-O-alpha-L-rhamnoside

(2R,3S) -3,5,7,4-Tetrahydroxyflavan 3-O-alpha-L-rhamnopyranoside

C21H24O9 (420.142)

4-Methoxy-3,3,5-trihydroxystilbene 3-O-beta-D-glucopyranoside

C21H24O9 (420.142)

Abruquinone E

(3S)-2,5-Diketo-6,7,8,3,4,6-hexamethoxyisoflavan

C21H24O9 (420.142)

Phyllaemblic acid

(+)-Phyllaemblic acid

C21H24O9 (420.142)

Davidioside

4,2,4-Trihydroxydihydrochalcone 2-glucoside

C21H24O9 (420.142)

7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl 6-O-acetyl-beta-D-glucopyranoside|hastatuside B|nepodin-8-yl beta-D-(6-O-acetyl)glucopyranoside

C21H24O9 (420.142)

2,6-dihydroxy-3,5-dimethyl-4-(beta-D-glucopyranosyloxy)benzophenone

C21H24O9 (420.142)

SCHEMBL15978434

C22H29BrO3 (420.13)

((9Xi,10Xi)-4,5,9,10-Tetrahydroxy-7-methyl-9,10-dihydro-[2]anthryl)-alpha-L-rhamnopyranosid|((9Xi,10Xi)-4,5,9,10-tetrahydroxy-7-methyl-9,10-dihydro-[2]anthryl)-alpha-L-rhamnopyranoside

C21H24O9 (420.142)

C21H24O9

C21H24O9 (420.142)

FT-0775918

C21H24O9 (420.142)

10-hydroxyoleoside 11-methyl ester

C17H24O12 (420.1268)

3,4-dihydroxy-3-(4-hydroxy-3,5-dimethoxy-benzyl)-4-(4-hydroxy-3-methoxy-benzyl)-dihydro-furan-2-one|Dihydroxy-thujaplicatin-methylaether

C21H24O9 (420.142)

(+)-6-O-(alpha-D-ribofuranosyl)-3,4-dihydro-3,6,9-trihydroxy-8-methoxy-3-methylanthracen-1(2H)-one|asperflavin ribofuranoside

C21H24O9 (420.142)

Aloesaponol II-6-O-D-glucopyranosid

C21H24O9 (420.142)

2,4-dihydroxy-3,5-dimethyl-6-(beta-D-glucopyranosyloxy)benzophenone

C21H24O9 (420.142)

lunularic acid 4-glucoside

C21H24O9 (420.142)

4-hydroxymethyl-2-methoxyphenyl 6-O-benzoyl-beta-D-glucopyranoside

C21H24O9 (420.142)

itoside I

C17H24O12 (420.1268)

schoepfin A

C21H24O9 (420.142)

2-methyl-4-oxo-4H-pyran-3-yl 2-O-(beta-D-apiofuranosyl)-beta-D-glucopyranoside|3-O-[beta-D-apiofuranosyl-(1?2)-beta-D-glucopyranosyl]maltol

C17H24O12 (420.1268)

(-)-3-hydoxy-2-methyl-4-pyrone 3-O-beta-D-xylopyranosyl-(1?6)-O-beta-D-glucopyranoside

C17H24O12 (420.1268)

dihydroeleutherinol-8-O-beta-D-glucopyranoside

C21H24O9 (420.142)

apigenin-7-D-glucoside

C21H24O9 (420.142)

3,4,5-trihydroxy-2-methoxy-9,10-dihydrophenanthrene-4-O-beta-D-glucopyranoside|marylaurencinoside A

C21H24O9 (420.142)

(2S)-5,7,4-trihydroxyflavan-5-O-beta-D-glucopyranoside

C21H24O9 (420.142)

4-methoxy-2,5,9R-trihydroxy-9,10-dihydrophenanthrene 2-O-beta-D-glucopyranoside

C21H24O9 (420.142)

1-(4-hydroxy-2,5-dimethylphenyl)-6-(p-hydroxybenzoyl)-beta-D-glucopyranose|dunnianoside C

C21H24O9 (420.142)

naringenin-4?-O-glucoside

C21H24O9 (420.142)

(7R,8S,7?R,8?S)-5-methoxyprinsepiol

C21H24O9 (420.142)

C20H34BrClO2

C20H34BrClO2 (420.1431)

14-hydroxy-8-desacyl-2,3-dehydrovernonataloide-8-O-methacrylate

C21H24O9 (420.142)

9-hydroxy-8-epihastatoside

C17H24O12 (420.1268)

6-Glucoside-(-)-Aloesaponol II

C21H24O9 (420.142)

Me ester,penta-L-Ac-Idonic acid

C17H24O12 (420.1268)

Piptoside

C17H24O12 (420.1268)

8alpha-[4-hydroxymethacryloyloxy]-10alpha-hydroxy-isohirsutinolide 13-O-acetate

C21H24O9 (420.142)

AKOS004902750

C21H24O9 (420.142)

10-hydroxyoleoside dimethyl ester

C17H24O12 (420.1268)

2-oxo-2-desacetoxyglaucolide D

C21H24O9 (420.142)

9alpha-acetoxy-4beta,15-epoxymiller-1(10)Z-enolide

C21H24O9 (420.142)

vernocinerolide-8-O-(4-hydroxymethacrylate)|vernocinerolide-8-O-<4-hydroxymethacrylate>

C21H24O9 (420.142)

(-)-Epiafzelechin 7-O-beta-D-glucopyranoside

C21H24O9 (420.142)

Rhapontigenin 3-O-glucoside

(2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O9 (420.142)

4-Deoxyphloridzin

C21H24O9 (420.142)

Annotation level-1

E-4,5-Dihydroxy-3-methoxy-3-glucopyranosylstilbene

C21H24O9 (420.142)

3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

C21H24O9 (420.142)

(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid

NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid

C21H24O9 (420.142)

methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate

NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate

C21H24O9 (420.142)

C17H24O12_4H-Pyran-4-one, 2-methyl-3-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]

NCGC00380493-01_C17H24O12_4H-Pyran-4-one, 2-methyl-3-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]-

C17H24O12 (420.1268)

(2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O9 (420.142)

3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-one

C17H24O12 (420.1268)

(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based on: CCMSLIB00000847816]

NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based on: CCMSLIB00000847816]

C21H24O9 (420.142)

(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based: Match]

NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based: Match]

C21H24O9 (420.142)

3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based on: CCMSLIB00000845136]

NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based on: CCMSLIB00000845136]

C21H24O9 (420.142)

methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based on: CCMSLIB00000848091]

NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based on: CCMSLIB00000848091]

C21H24O9 (420.142)

methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based: Match]

NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based: Match]

C21H24O9 (420.142)

3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based: Match]

NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based: Match]

C21H24O9 (420.142)

C-14 dehydrated analogs of thaxtomin A

C22H20N4O5 (420.1434)

isorhapontin_major

C21H24O9 (420.142)

3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-one_major

C17H24O12 (420.1268)

isorhapontin_minor

C21H24O9 (420.142)

Ala Cys Asn Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Ala Asn Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Ala Asn Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Cys Ala Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Cys Asp Pro Ser

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C15H24N4O8S (420.1315)

Cys Asp Ser Pro

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

C15H24N4O8S (420.1315)

Cys Gly Asn Gln

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Cys Gly Gln Asn

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Cys Asn Ala Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]propanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Cys Asn Gly Gln

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Cys Asn Asn Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]propanoic acid

C14H24N6O7S (420.1427)

Cys Asn Gln Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]acetic acid

C14H24N6O7S (420.1427)

Cys Pro Asp Ser

(3S)-3-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C15H24N4O8S (420.1315)

Cys Pro Ser Asp

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

C15H24N4O8S (420.1315)

Cys Gln Gly Asn

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]acetamido}-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Cys Gln Asn Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]acetic acid

C14H24N6O7S (420.1427)

Cys Ser Asp Pro

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

C15H24N4O8S (420.1315)

Cys Ser Pro Asp

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

C15H24N4O8S (420.1315)

Asp Cys Pro Ser

(3S)-3-amino-3-{[(2R)-1-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}propanoic acid

C15H24N4O8S (420.1315)

Asp Cys Ser Pro

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

C15H24N4O8S (420.1315)

Asp Pro Cys Ser

(3S)-3-amino-4-[(2S)-2-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C15H24N4O8S (420.1315)

Asp Pro Ser Cys

(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C15H24N4O8S (420.1315)

Asp Ser Cys Pro

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

C15H24N4O8S (420.1315)

Asp Ser Pro Cys

(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}propanoic acid

C15H24N4O8S (420.1315)

Gly Cys Asn Gln

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Gly Cys Gln Asn

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Gly Asn Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Gly Asn Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Gly Gln Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Gly Gln Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Asn Ala Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Asn Ala Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Asn Cys Ala Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]propanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Asn Cys Gly Gln

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]acetamido}-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Asn Cys Asn Ala

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]propanoic acid

C14H24N6O7S (420.1427)

Asn Cys Gln Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]acetic acid

C14H24N6O7S (420.1427)

Asn Gly Cys Gln

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C14H24N6O7S (420.1427)

Asn Gly Gln Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Asn Asn Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]propanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Asn Asn Cys Ala

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]propanoic acid

C14H24N6O7S (420.1427)

Asn Gln Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]acetic acid

C14H24N6O7S (420.1427)

Asn Gln Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]acetamido}-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Pro Cys Asp Ser

(3S)-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanoic acid

C15H24N4O8S (420.1315)

Pro Cys Ser Asp

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

C15H24N4O8S (420.1315)

Pro Asp Cys Ser

(3S)-3-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C15H24N4O8S (420.1315)

Pro Asp Ser Cys

(3S)-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C15H24N4O8S (420.1315)

Pro Ser Cys Asp

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

C15H24N4O8S (420.1315)

Pro Ser Asp Cys

(3S)-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoic acid

C15H24N4O8S (420.1315)

Gln Cys Gly Asn

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]acetamido}-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Gln Cys Asn Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetic acid

C14H24N6O7S (420.1427)

Gln Gly Cys Asn

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-4-carbamoylbutanamido]acetamido}-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S (420.1427)

Gln Gly Asn Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-4-carbamoylbutanamido]acetamido}-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Gln Asn Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]acetic acid

C14H24N6O7S (420.1427)

Gln Asn Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]acetamido}-3-sulfanylpropanoic acid

C14H24N6O7S (420.1427)

Ser Cys Asp Pro

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

C15H24N4O8S (420.1315)

Ser Cys Pro Asp

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

C15H24N4O8S (420.1315)

Ser Asp Cys Pro

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

C15H24N4O8S (420.1315)

Ser Asp Pro Cys

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-4-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C15H24N4O8S (420.1315)

Ser Pro Cys Asp

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

C15H24N4O8S (420.1315)

Ser Pro Asp Cys

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C15H24N4O8S (420.1315)

Rhapontin

C21H24O9 (420.142)

Rhapontin is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Rhapontin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rhapontin can be found in garden rhubarb, which makes rhapontin a potential biomarker for the consumption of this food product. Rhapontin has beneficial effects on diabetic mice, and in vitro results suggest it may be relevant to Alzheimers disease with an action on beta amyloid . Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].

Afzelechin 3-O-alpha-L-rhamnopyranoside

C21H24O9 (420.142)

Phe-Phe-OH

(S)-2-(3-(benzyloxy)-4-nitrobenzamido)-3-phenylpropanoic acid

C23H20N2O6 (420.1321)

2',4',6'-Trihydroxydihydrochalcone 2'-glucoside

1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one

C21H24O9 (420.142)

2',4',6'-Trihydroxydihydrochalcone 4'-glucoside

1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one

C21H24O9 (420.142)

2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside

C17H24O12 (420.1268)

Talmetoprim

C22H20N4O5 (420.1434)

2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride

C20H25ClN4O2S (420.1387)

Flupirtine maleate

C19H21FN4O6 (420.1445)

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Flupirtine Maleate is a?brain?penetrant, and orally bioavailable, non-opioid and centrally acting analgesic agent. Flupirtine Maleate is an indirect N-methyl-D-aspartate receptor (NMDAR) antagonist. Neuroprotective properties[1][2].

Benzyloxycarbonyl-L-phenylalanine p-nitrophenylester

C23H20N2O6 (420.1321)

1-Methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate

C21H22F2N2O3S (420.1319)

N-(6-((2-METHOXYETHYL)(METHYL)AMINO)PYRIDIN-3-YL)-2-PHENYL-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXAMIDE

C20H19F3N4O3 (420.1409)

2-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]ethanol

C20H22ClFN4O3 (420.1364)

NSC23925

C22H26Cl2N2O2 (420.1371)

Filanesib

C20H22F2N4O2S (420.1431)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators

Anzemet (TN)

Dolasetron (Mesylate)

C20H24N2O6S (420.1355)

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents

4,4-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid

C28H20O4 (420.1362)

5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide

C20H19F3N4O3 (420.1409)

Rhaponticine

C21H24O9 (420.142)

N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide

C22H20N4O5 (420.1434)

Methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

C19H24N4O3S2 (420.129)

(Z)-Rhaponticin

C21H24O9 (420.142)

N-(5-tert-butyl-3-isoxazolyl)-7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide

C23H21ClN4O2 (420.1353)

2-[2-Furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxylic acid ethyl ester

C22H20N4O5 (420.1434)

4-[[3-(4-Chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid

C21H25ClN2O5 (420.1452)

3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

C21H24O9 (420.142)

(beta-D-glucopyranosyloxymethyl)deoxyuridine

C16H24N2O11 (420.138)

A pyrimidine 2-deoxyribonucleoside having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase.

9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione

C22H29BrO3 (420.13)

4-(4-Methoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione

C23H20N2O6 (420.1321)

4-(3-Chloro-4-fluoroanilino)-6-[3-(3-hydroxypropylamino)propoxy]quinazolin-7-ol

C20H22ClFN4O3 (420.1364)

(9R,17S)-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-4,5,12,13,20,21-hexol

C24H22NO6+ (420.1447)

1,1,2,2,5,5,6,6,9,9,10,10-Dodecamethyl-1,2,5,6,9,10-hexasila-3,7,11-cyclododecatriyne

C18H36Si6 (420.1433)

1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-

C21H24O9 (420.142)

Methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate

C21H24O9 (420.142)

(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid

C21H24O9 (420.142)

(3E,6S)-3-[(3-hydroxyphenyl)methylidene]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione

C22H20N4O5 (420.1434)

Secogalioside

C17H24O12 (420.1268)

2,4,6-Trihydroxydihydrochalcone 2-glucoside

C21H24O9 (420.142)

2,4,6-Trihydroxydihydrochalcone 4-glucoside

C21H24O9 (420.142)

cis-rhaponticin

C21H24O9 (420.142)

A rhaponticin in which the double bond adopts a cis-configuration.

ST 18:1;O6;S

C18H28O9S (420.1454)

DGAT1-IN-3

C20H19F3N4O3 (420.1409)

DGAT1-IN-3 is a potent, selective and orally bioavailable inhibitor of DGAT-1, with IC50s of 38 nM for human DGAT-1 and 120 nM for rat DGAT-1. DGAT1-IN-3 could be used to research of obesity, dyslipidemia, and metabolic syndrome[1][2].

methyl (1s,2r,4s,5r,6r,10s)-5,6-dihydroxy-2-methyl-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate

C17H24O12 (420.1268)

2-{[3-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O9 (420.142)

3,4-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C21H24O9 (420.142)

methyl (1s,2r,4s,5r,6r,10s)-5,6-dihydroxy-2-methyl-10-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate

C17H24O12 (420.1268)

(1s,4as,6s,7r,7as)-6-hydroxy-4-(methoxycarbonyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-7-carboxylic acid

C17H24O12 (420.1268)

methyl 10-(2,3-dimethyloxirane-2-carbonyloxy)-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-2,7-diene-8-carboxylate

C21H24O9 (420.142)

(9r,17s)-4,5,12,13,20,21-hexahydroxy-1λ⁵-azahexacyclo[15.8.0.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹⁸,²³]pentacosa-2,4,6,10,12,14,18(23),19,21-nonaen-1-ylium

[C24H22NO6]+ (420.1447)

(7s,8s,8as)-3-(dimethoxymethyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate

C21H24O9 (420.142)

{6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

C21H24O9 (420.142)

3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylpyran-4-one

C17H24O12 (420.1268)

(2s,3r,4r,5r,6s)-2-{[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-6-methyloxane-3,4,5-triol

C21H24O9 (420.142)

methyl (1s,2s,3s,7s,9s,11r)-11-hydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10,12-trioxatricyclo[7.2.1.0²,⁷]dodec-5-ene-6-carboxylate

C17H24O12 (420.1268)

(19s)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl acetate

C23H20N2O6 (420.1321)

10-methoxy-20-o-acetylcamptothecin

C23H20N2O6 (420.1321)

{"Ingredient_id": "HBIN000160","Ingredient_name": "10-methoxy-20-o-acetylcamptothecin","Alias": "NA","Ingredient_formula": "C23H20N2O6","Ingredient_Smile": "CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6beta,7beta-epoxy-8-epi-splendoside

C17H24O12 (420.1268)

{"Ingredient_id": "HBIN012244","Ingredient_name": "6beta,7beta-epoxy-8-epi-splendoside","Alias": "NA","Ingredient_formula": "C17H24O12","Ingredient_Smile": "COC(=O)C1=COC(C2C1C3C(C2(CO)O)O3)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "420.4 g/mol","OB_score": "11.85768748","CAS_id": "NA","SymMap_id": "SMIT10651","TCMID_id": "NA","TCMSP_id": "MOL009532","TCM_ID_id": "NA","PubChem_id": "11166049","DrugBank_id": "NA"}

anticancer flavonoid pmv70p691-77

C21H24O9 (420.142)

{"Ingredient_id": "HBIN016337","Ingredient_name": "anticancer flavonoid pmv70p691-77","Alias": "NA","Ingredient_formula": "C21H24O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}