Exact Mass: 532.1639422000001

Exact Mass Matches: 532.1639422000001

Found 306 metabolites which its exact mass value is equals to given mass value 532.1639422000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Biochanin A 7-(6-malonylglucoside)

3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C25H24O13 (532.1216853999999)


Biochanin A 7-(6-malonylglucoside) is found in herbs and spices. Biochanin A 7-(6-malonylglucoside) is isolated from leaves of Trifolium pratense (red clover

   

Flavonol 3-O-D-xylosylglucoside

Flavonol 3-O-D-xylosylglucoside

C26H28O12 (532.1580688)


   

Flavonol 3-O-D-xylosylglycoside

Flavonol 3-O-D-xylosylglycoside; Flavonol 3-O-[D-xylosyl-(1->2)-beta-D-glycoside]; Flavonol 3-[beta-D-xylosyl-(1->2)-beta-D-glycoside]

C26H28O12 (532.1580688)


   

Trichotomine

Trichotomine

C30H20N4O6 (532.138278)


   

6'-Malonyltrifolirhizin

3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid

C25H24O13 (532.1216853999999)


6-Malonyltrifolirhizin is found in pulses. 6-Malonyltrifolirhizin is a constituent of Cicer arietinum (chickpea).

   

6'-O-Malonylglycitin

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C25H24O13 (532.1216853999999)


Present in soy foods. Potential nutriceutical. 6-Malonylglycitin is found in many foods, some of which are soy milk, pulses, miso, and soy sauce. 6-O-Malonylglycitin is found in miso. 6-O-Malonylglycitin is present in soy foods. Potential nutriceutical.

   

Flavonol 3-O-D-xylosylgalactoside

Flavonol 3-O-D-xylosylgalactoside

C26H28O12 (532.1580688)


   

Sesaminol glucoside

2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C26H28O12 (532.1580688)


Sesaminol glucoside is found in cereals and cereal products. Sesaminol glucoside is a constituent of sesame seed. Constituent of sesame seed. Sesaminol glucoside is found in cereals and cereal products.

   

2',6'-Diacetylorientin

[5-(Acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetic acid

C25H24O13 (532.1216853999999)


2,6-Diacetylorientin is found in herbs and spices. 2,6-Diacetylorientin is isolated from Rumex acetosa (sorrel). Isolated from Rumex acetosa (sorrel). 2,6-Diacetylorientin is found in herbs and spices and sorrel.

   

2',6'-Di-O-acetylisoorientin

[5-(Acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetic acid

C25H24O13 (532.1216853999999)


2,6-Di-O-acetylisoorientin is found in green vegetables. 2,6-Di-O-acetylisoorientin is isolated from sorrel leaves (Rumex acetosa). Isolated from sorrel leaves (Rumex acetosa). 2,6-Diacetylisoorientin is found in green vegetables and sorrel.

   

3-[3-[4-[5-(2-Carboxyethyl)-2-hydroxyphenyl]-1,4-bis(carboxymethylamino)butyl]-4-hydroxyphenyl]propanoic acid

3-(3-{4-[5-(2-carboxyethyl)-2-hydroxyphenyl]-1,4-bis[(carboxymethyl)amino]butyl}-4-hydroxyphenyl)propanoic acid

C26H32N2O10 (532.2056852)


   

Plevitrexed

2-{[(2-fluoro-4-{[(4-hydroxy-2,7-dimethylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)(hydroxy)methylidene]amino}-4-(2H-1,2,3,4-tetrazol-5-yl)butanoate

C26H25FN8O4 (532.1982701999999)


   

Epoxyspicatin

Epoxyspicatin

C27H32O11 (532.1944522)


   

Icaritin 3-rhamnoside

3,5,7-Trihydroxy-4-methoxy-8- (3-hydroxy-3-methylbutyl) flavone 3-rhamnoside

C27H32O11 (532.1944522)


   

Kadsuralignan B

Kadsuralignan B

C27H32O11 (532.1944522)


   

NORTRYPTOQUIVALINE

NORTRYPTOQUIVALINE

C28H28N4O7 (532.1957898000001)


   

Longipedunin A

1-Demethylkadsuphilin A

C31H32O8 (532.2097072)


   

Hymenoside A

Hymenoside A

C27H32O11 (532.1944522)


   

Isoscutellarein 4-methyl ether 8-(6-n-butylglucuronide)

5,7-Dihydroxy-2- (4-methoxyphenyl) -4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl ester

C26H28O12 (532.1580688)


   

2-O-(2-Methylbutyryl)orientin

2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-8- [ 2-O- (2-methylbutyryl) -beta-D-glucopyranosyl ] -4H-1-benzopyran-4-one

C26H28O12 (532.1580688)


   

Sinocrassoside B2

Sinocrassoside B2

C26H28O12 (532.1580688)


   

Styraxlignolide B

Styraxlignolide B

C26H28O12 (532.1580688)


   

Hymenoside J

Hymenoside J

C27H32O11 (532.1944522)


   

6,7,3,4-Tetrahydroxyaurone 6-(4,6-diacetylglucoside)

6,7,3,4-Tetrahydroxyaurone 6-(4,6-diacetylglucoside)

C25H24O13 (532.1216853999999)


   

Kurramine

O-Demethyl-1,2-dehydroapateline

C33H28N2O5 (532.1998118)


   

Tiegusanin L

Tiegusanin L

C31H32O8 (532.2097072)


   

Bidenoside A

6,7,3,4-Tetrahydroxyaurone 6-O- (3",6"-di-O-acetylglucoside)

C25H24O13 (532.1216853999999)


   

Trilobatin D

Trilobatin D

C25H24O13 (532.1216853999999)


   

Apigenin 7-methyl ether 5-(6-malonylglucoside)

5,4-Dihydroxy-7-methoxyflavone 5- (6"-malonylglucoside)

C25H24O13 (532.1216853999999)


   

Gnetuhainin I

Gnetuhainin I

C30H28O9 (532.1733238)


   

Maculalactone K

(+)-Maculalactone K

C34H28O6 (532.1885788)


   

Luteolin 7-[6-(2-methylbutyryl)glucoside]

2- (3,4-Dihydroxyphenyl) -5-hydroxy-7- [ [ 6-O- (2-methyl-1-oxobutyl) -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one

C26H28O12 (532.1580688)


   

3)-xyloside

5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1-

C26H28O12 (532.1580688)


   

Kaempferol 3-(3,4-diacetylglucoside)

Kaempferol 3-(3,4-diacetylglucoside)

C25H24O13 (532.1216853999999)


   

Antibiotic MM 44787

Antibiotic MM 44787

C26H28O12 (532.1580688)


   

6‘-succinyl genistin

5,7,4-Trihydroxyisoflavone 7-O-(6-succinylglucoside)

C25H24O13 (532.1216853999999)


   

1-O-Deacetyl-2alpha-hydroxykhayanolide E

(+)-1-O-Deacetyl-2alpha-hydroxykhayanolide E

C27H32O11 (532.1944522)


   

leptostachyol acetate

leptostachyol acetate

C26H28O12 (532.1580688)


   

Isogemichalcone C

3-(4-Feruloyloxy-3-methylbutyl-2(E)-enyl)-2,4,2,4-tetrahydroxychalcone

C30H28O9 (532.1733238)


   

Gemichalcone C

3- (4-Feruloyloxy-3-methylbutyl-2 (Z) -enyl) -2,4,2,4-tetrahydroxychalcone

C30H28O9 (532.1733238)


   

6-Methoxygossypol

6-O-Methylgossypol

C31H32O8 (532.2097072)


   

4-Hydroxyrottlerin

(E) -1- [ 6- [ (3-acetyl-2,4,6-trihydroxy-5-methylphenyl) methyl ] -5,7-dihydroxy-2,2-dimethylchromen-8-yl ] -3- (4-hydroxyphenyl) prop-2-en-1-one

C30H28O9 (532.1733238)


   

5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside

5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside

C26H28O12 (532.1580688)


   

Kaempferol 3- (3',4'-diacetylglucoside)

3,5,7,4-Tetrahydroxyflavone 3- (3",4"-diacetylglucoside)

C25H24O13 (532.1216853999999)


   

Orientin 2,6-diacetate

5,7,3,4-Tetrahydroxyflavone 8- (2",6"-diacetylglucoside)

C25H24O13 (532.1216853999999)


   

6,7,3,4-Tetrahydroxyaurone 6- (4',6'-diacetylglucoside)

6,7,3,4-Tetrahydroxyaurone 6- (4",6"-diacetylglucoside)

C25H24O13 (532.1216853999999)


   

haplodoside

haplodoside

C26H28O12 (532.1580688)


   

Me-3-Gpgpmp

Me-3-Gpgpmp

C19H32O17 (532.1639422000001)


   

Schizanrin A

Schizanrin A

C31H32O8 (532.2097072)


   

C29H24O10

C29H24O10 (532.1369404)


   

AURANTIACIN

AURANTIACIN

C32H20O8 (532.115812)


   

(5E,7R,8R,14Z)-7-Acetoxy-10-iodo-12-hydroxy-9-oxoprosta-5,10,14-triene-1-oic acid methyl ester

(5E,7R,8R,14Z)-7-Acetoxy-10-iodo-12-hydroxy-9-oxoprosta-5,10,14-triene-1-oic acid methyl ester

C23H33IO6 (532.1321788)


   

5,4-dihydroxy-3-methoxyflavone-7-O-6-n-butyryl-beta-D-glucopyranoside|luteolin-3-O-methyl-7-O-(6-butyryl-beta-glucopyranoside)

5,4-dihydroxy-3-methoxyflavone-7-O-6-n-butyryl-beta-D-glucopyranoside|luteolin-3-O-methyl-7-O-(6-butyryl-beta-glucopyranoside)

C26H28O12 (532.1580688)


   

acacetin 7-O-beta-(6-O-malonylglucopyranoside)|acacetin-7-O-glucoside-6-O-malonyl ester

acacetin 7-O-beta-(6-O-malonylglucopyranoside)|acacetin-7-O-glucoside-6-O-malonyl ester

C25H24O13 (532.1216853999999)


   

CHEMBL27902

CHEMBL27902

C26H32N2O10 (532.2056852)


   

C19H32O17

C19H32O17 (532.1639422000001)


   

C25H24O13

C25H24O13 (532.1216853999999)


   

Ustilaginoidin E

Ustilaginoidin E

C29H24O10 (532.1369404)


   

toonaciliatin H

toonaciliatin H

C27H32O11 (532.1944522)


   

6-gamma,gamma-dimethylallylquercetin 7-O-beta-D-glucoside

6-gamma,gamma-dimethylallylquercetin 7-O-beta-D-glucoside

C26H28O12 (532.1580688)


   

5-methoxy-6-methyl-7-[O-beta-D-glucopyranoside]- 8-aldehydo-3-(3,4-methylenedioxybenzyl)chroman-4-one|ophiopogoside B

5-methoxy-6-methyl-7-[O-beta-D-glucopyranoside]- 8-aldehydo-3-(3,4-methylenedioxybenzyl)chroman-4-one|ophiopogoside B

C26H28O12 (532.1580688)


   

C20H36O16

C20H36O16 (532.2003256)


   

carpesilipskyin

carpesilipskyin

C29H24O10 (532.1369404)


   

ACMC-20dhs9

ACMC-20dhs9

C25H31Cl3O6 (532.1186116)


   

6'-O-Malonylglycitin

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C25H24O13 (532.1216853999999)


Present in soy foods. Potential nutriceutical. 6-Malonylglycitin is found in many foods, some of which are soy milk, pulses, miso, and soy sauce. 6-O-Malonylglycitin is found in miso. 6-O-Malonylglycitin is present in soy foods. Potential nutriceutical.

   

(2E)-22-demethyl-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t-trimethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Normaysin|Normaysin (6)|normaysine

(2E)-22-demethyl-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t-trimethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Normaysin|Normaysin (6)|normaysine

C27H33ClN2O7 (532.1976178)


   

1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha,4beta-dihydroxy-dihydro-beta-agarofuran

1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha,4beta-dihydroxy-dihydro-beta-agarofuran

C27H32O11 (532.1944522)


   

5,7-Dihydroxy-4-methoxy-5-malonyl-7-beta-glucosyl-isoflavon

5,7-Dihydroxy-4-methoxy-5-malonyl-7-beta-glucosyl-isoflavon

C25H24O13 (532.1216853999999)


   

3,3-dioxo-6,11,6,11-tetrahydro-5H,5H-[2,2]bi[indolizino[8,7-b]indolylidene]-5,5-dicarboxylic acid|Trichotomin|Trichotomine

3,3-dioxo-6,11,6,11-tetrahydro-5H,5H-[2,2]bi[indolizino[8,7-b]indolylidene]-5,5-dicarboxylic acid|Trichotomin|Trichotomine

C30H20N4O6 (532.138278)


   

7,8-dihydroxy-5-methoxycoumarin-7-beta-sophoroside

7,8-dihydroxy-5-methoxycoumarin-7-beta-sophoroside

C22H28O15 (532.1428138)


   

1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

C30H28O9 (532.1733238)


   

benzyl-7-O-(5-O-trans-cinnamoyl-beta-D-apiosyl)-(1->3)-beta-D-glucopyranoside

benzyl-7-O-(5-O-trans-cinnamoyl-beta-D-apiosyl)-(1->3)-beta-D-glucopyranoside

C27H32O11 (532.1944522)


   

acacetin-6-C-(6-O-malonyl)glucoside

acacetin-6-C-(6-O-malonyl)glucoside

C25H24O13 (532.1216853999999)


   

6-C-beta-D-glucopyranosyl-8-C-alpha-L-arabinosylapigenin|schaftside

6-C-beta-D-glucopyranosyl-8-C-alpha-L-arabinosylapigenin|schaftside

C26H28O12 (532.1580688)


   

solphenazine D

solphenazine D

C25H28N2O11 (532.1693018)


   

6-C-alpha-L-arabinosyl-8-C-beta-D-glucopyranosylapigenin

6-C-alpha-L-arabinosyl-8-C-beta-D-glucopyranosylapigenin

C26H28O12 (532.1580688)


   

pinillidine

pinillidine

C29H24O10 (532.1369404)


   

(?)?1-O-feruloyl-4-O-dihydrocaffeoylquinic acid.

(?)?1-O-feruloyl-4-O-dihydrocaffeoylquinic acid.

C26H28O12 (532.1580688)


   

2,4-O-diacetylquercitrin

2,4-O-diacetylquercitrin

C25H24O13 (532.1216853999999)


   

emodin 8-O-beta-D-(6-methylmalonyl)-glucopyranoside|polyganin A

emodin 8-O-beta-D-(6-methylmalonyl)-glucopyranoside|polyganin A

C25H24O13 (532.1216853999999)


   

(?)?1-O-feruloyl-3-O-dihydrocaffeoylquinic acid

(?)?1-O-feruloyl-3-O-dihydrocaffeoylquinic acid

C26H28O12 (532.1580688)


   

dehydraisodihydrocadambine

dehydraisodihydrocadambine

C26H32N2O10 (532.2056852)


   

Epoxyspicantrin

Epoxyspicantrin

C27H32O11 (532.1944522)


   

Hemislienoside

Hemislienoside

C27H32O11 (532.1944522)


   

boronialatenolide

boronialatenolide

C27H32O11 (532.1944522)


   

repenin A

repenin A

C29H24O10 (532.1369404)


   

Sankyomicin E

Sankyomicin E

C26H28O10S (532.1403108000001)


   

6-O-beta-D-glucopyranosylhinokinin|rubrifloside A

6-O-beta-D-glucopyranosylhinokinin|rubrifloside A

C26H28O12 (532.1580688)


   

O-Ac,O-de-Ac-Nortryptoquivaline

O-Ac,O-de-Ac-Nortryptoquivaline

C28H28N4O7 (532.1957898000001)


   

C23H32O14

C23H32O14 (532.1791972)


   

4-Hydroxy-Rottlerin

4-Hydroxy-Rottlerin

C30H28O9 (532.1733238)


   

3-[gamma-hydroxymethyl-(z)-gamma-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-ferulate|gemichalcone C

3-[gamma-hydroxymethyl-(z)-gamma-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-ferulate|gemichalcone C

C30H28O9 (532.1733238)


   

1-O-(E)-feruloyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-feruloyl-[beta-(1->2)-glucuronosyl]-beta-glucose

1-O-(E)-feruloyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-feruloyl-[beta-(1->2)-glucuronosyl]-beta-glucose

C22H28O15 (532.1428138)


   

Surinamensin

Surinamensin

C32H20O8 (532.115812)


   

CHEMBL4439167

CHEMBL4439167

C30H28O9 (532.1733238)


   

aerucyclamide B

aerucyclamide B

C24H32N6O4S2 (532.1926352)


   

Asn Asp Gly Val Glu

Asn Asp Gly Val Glu

C20H32N6O11 (532.2128961999999)


   

Asp His Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside

5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside

C26H28O12 (532.1580688)


   

1-O-Deacetyl-2α-hydroxykhayanolide E

methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3,14-trihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

C27H32O11 (532.1944522)


   

Verrucarin A-16-oic acid (9CI)_120089

Verrucarin A-16-oic acid (9CI)_120089

C27H32O11 (532.1944522)


   

Biochanin A 7-O-beta-D-glucoside-6-O-malonate

Biochanin A 7-O-beta-D-glucoside-6-O-malonate

C25H24O13 (532.1216853999999)


   

C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside

NCGC00169928-02_C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside

C25H24O13 (532.1216853999999)


   

Isoflavone base + 2O + 1MeO, O-MalonylHex

Isoflavone base + 2O + 1MeO, O-MalonylHex

C25H24O13 (532.1216853999999)


Annotation level-3

   

Cys Phe Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Cys Phe Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Cys His His His

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

C21H28N10O5S (532.1964758)


   

Cys Pro Gln Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Cys Pro Trp Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O6S (532.2103932)


   

Cys Gln Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Cys Gln Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Cys Thr Phe Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Cys Thr Tyr Phe

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Cys Trp Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C24H32N6O6S (532.2103932)


   

Cys Trp Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Cys Tyr Phe Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Cys Tyr Thr Phe

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Asp Asp Phe His

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

C23H28N6O9 (532.1917678)


   

Asp Asp His Phe

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

C23H28N6O9 (532.1917678)


   

Asp Phe Asp His

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

C23H28N6O9 (532.1917678)


   

Asp Phe His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

Asp His Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C23H28N6O9 (532.1917678)


   

Asp His Met Met

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

C20H32N6O7S2 (532.1773802)


   

Asp Met His Met

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

C20H32N6O7S2 (532.1773802)


   

Asp Met Met His

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

C20H32N6O7S2 (532.1773802)


   

Glu Glu Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C20H32N6O11 (532.2128961999999)


   

Glu Gln Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C20H32N6O11 (532.2128961999999)


   

Glu Gln Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H32N6O11 (532.2128961999999)


   

Phe Cys Thr Tyr

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Phe Cys Tyr Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Phe Asp Asp His

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

C23H28N6O9 (532.1917678)


   

Phe Asp His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

Phe His Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

Phe Thr Cys Tyr

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Phe Thr Tyr Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Phe Tyr Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Phe Tyr Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Gly Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Gly Tyr Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Gly Tyr Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H32N4O7S (532.1991601999999)


   

His Cys His His

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

C21H28N10O5S (532.1964758)


   

His Asp Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C23H28N6O9 (532.1917678)


   

His Asp Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-phenylpropanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

His Asp Met Met

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

C20H32N6O7S2 (532.1773802)


   

His Phe Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid

C23H28N6O9 (532.1917678)


   

His His Cys His

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

C21H28N10O5S (532.1964758)


   

His His His Cys

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

C21H28N10O5S (532.1964758)


   

His Met Asp Met

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

C20H32N6O7S2 (532.1773802)


   

His Met Met Asp

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

C20H32N6O7S2 (532.1773802)


   

Met Asp His Met

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

C20H32N6O7S2 (532.1773802)


   

Met Asp Met His

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

C20H32N6O7S2 (532.1773802)


   

Met Gly Tyr Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Met His Asp Met

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

C20H32N6O7S2 (532.1773802)


   

Met His Met Asp

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

C20H32N6O7S2 (532.1773802)


   

Met Met Asp His

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

C20H32N6O7S2 (532.1773802)


   

Met Met His Asp

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

C20H32N6O7S2 (532.1773802)


   

Met Tyr Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Met Tyr Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C25H32N4O7S (532.1991601999999)


   

Pro Cys Gln Trp

(2S)-2-[(2S)-4-carbamoyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanamido]-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Pro Cys Trp Gln

(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]butanoic acid

C24H32N6O6S (532.2103932)


   

Pro Gln Cys Trp

(2S)-2-[(2R)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Pro Gln Trp Cys

(2R)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Pro Trp Cys Gln

(2S)-4-carbamoyl-2-[(2R)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]butanoic acid

C24H32N6O6S (532.2103932)


   

Pro Trp Gln Cys

(2R)-2-[(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Gln Cys Pro Trp

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Gln Cys Trp Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Gln Glu Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C20H32N6O11 (532.2128961999999)


   

Gln Glu Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H32N6O11 (532.2128961999999)


   

Gln Pro Cys Trp

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C24H32N6O6S (532.2103932)


   

Gln Pro Trp Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Gln Gln Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]pentanedioic acid

C20H32N6O11 (532.2128961999999)


   

Gln Trp Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Gln Trp Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Thr Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Thr Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Thr Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Thr Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

MDL102382 glucoronide

MDL102382 glucoronide

C26H32N2O10 (532.2056852)


   

Thr Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Thr Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Trp Cys Pro Gln

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C24H32N6O6S (532.2103932)


   

Trp Cys Gln Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Trp Pro Cys Gln

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C24H32N6O6S (532.2103932)


   

Trp Pro Gln Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Trp Gln Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C24H32N6O6S (532.2103932)


   

Trp Gln Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C24H32N6O6S (532.2103932)


   

Tyr Cys Phe Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Cys Thr Phe

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Phe Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Phe Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Gly Met Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Gly Tyr Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Met Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Met Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C25H32N4O7S (532.1991601999999)


   

Sulindac glucuronide

Sulindac glucuronide

C26H25FO9S (532.1203252)


   

Tyr Thr Cys Phe

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Thr Phe Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Tyr Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C25H32N4O7S (532.1991601999999)


   

Tyr Tyr Met Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]acetic acid

C25H32N4O7S (532.1991601999999)


   

NDGVE

Asn Asp Gly Val Glu

C20H32N6O11 (532.2128961999999)


   

Bichanin A 7-O-glucoside-6-malonate

Biochanin a 7-O-(6-O-malonyl-beta-D-glucoside)

C25H24O13 (532.1216853999999)


   

Isoorientin 2,6-diacetate

2,6-Di-O-acetylisoorientin

C25H24O13 (532.1216853999999)


   

Orientin 2-O-(2-methylbutyrate)

Orientin 2-O-(2-methylbutyrate)

C26H28O12 (532.1580688)


   

galactan

(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

C20H36O16 (532.2003256)


   

2'',6''-Diacetylorientin

[5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate

C25H24O13 (532.1216853999999)


   

Isoorientin 2'',6''-diacetate

[5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate

C25H24O13 (532.1216853999999)


   

6'-Malonyltrifolirhizin

3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13,15,17-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid

C25H24O13 (532.1216853999999)


   

Sesaminol glucoside

2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C26H28O12 (532.1580688)


   

7-Acetoxy-7,8-dihydroiodovulone I

methyl 7S-acetoxy-9-oxo-10-iodo-12S-hydroxy-5Z,10Z,13Z-prostatrienoate-cyclo[8R,12]

C23H33IO6 (532.1321788)


   

7-Acetoxy-7,8-dihydroiodovulone II

methyl 7S-acetoxy-9-oxo-10-iodo-12S-hydroxy-5E,10Z,13Z-prostatrienoate-cyclo[8R,12]

C23H33IO6 (532.1321788)


   

Austrobuxusin A

Austrobuxusin A

C26H28O12 (532.1580688)


   

Plevitrexed

Plevitrexed

C26H25FN8O4 (532.1982701999999)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D000970 - Antineoplastic Agents

   

4-NITROBENZYL (2S,4S)-4-ACETYLTHIO-2-((N-SULFAMOYL-N-(TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE

4-NITROBENZYL (2S,4S)-4-ACETYLTHIO-2-((N-SULFAMOYL-N-(TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE

C20H28N4O9S2 (532.1297638000001)


   

Hexadecamethylheptasiloxane

Hexadecamethylheptasiloxane

C16H48O6Si7 (532.1835668000001)


   

Bis-PEG5-NHS ester

Bis-PEG5-NHS ester

C22H32N2O13 (532.1904302)


   

1 1-diethyl-2 2-quinotricarbocyanine

1 1-diethyl-2 2-quinotricarbocyanine

C29H29IN2 (532.1375384)


   

n6-(6-aminohexyl)adenosine 2,5-diphosphate lithium salt

n6-(6-aminohexyl)adenosine 2,5-diphosphate lithium salt

C16H27LiN6O10P2 (532.1423892)


   

polyimide LARC-TPI

polyimide LARC-TPI

C30H20N4O6 (532.138278)


   

bis(trimethylsilyl)tributyltinphosphate

bis(trimethylsilyl)tributyltinphosphate

C18H45O4PSi2Sn (532.1615850000001)


   

Hoechst 33258 (trihydrochloride)

Hoechst 33258 (trihydrochloride)

C25H27Cl3N6O (532.1311822)


   

Tris(2,4,6-trimethoxyphenyl)phosphine

Tris(2,4,6-trimethoxyphenyl)phosphine

C27H33O9P (532.1862098)


   

N6-(6-AMINOHEXYL)ADENOSINE 3,5-DIPHOSP HATE LITHI

N6-(6-AMINOHEXYL)ADENOSINE 3,5-DIPHOSP HATE LITHI

C16H27LiN6O10P2 (532.1423892)


   

BAPTA-tetramethyl Ester

BAPTA-tetramethyl Ester

C26H32N2O10 (532.2056852)


   

thymolphthalein monophosphate magnesium salt

thymolphthalein monophosphate magnesium salt

C28H29MgO7P (532.1501314)


   

Oprozomib

Oprozomib (ONX 0912)

C25H32N4O7S (532.1991601999999)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor

   

GCLH

GCLH

C29H25ClN2O4S (532.122348)


   

tetracaine

tetracaine

C27H28BrF3N2O (532.1336974000001)


   

4,6-bis(3-(2-ethylhexyl)thien-2-yl)thieno[3,4-c][1,2,5]thiadiazole

4,6-bis(3-(2-ethylhexyl)thien-2-yl)thieno[3,4-c][1,2,5]thiadiazole

C28H40N2S4 (532.2074200000001)


   

Regrelor

Regrelor

C22H25N6O8P (532.1471419999999)


C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists

   

2-Hydroxystilbamidine isethionate

2-Hydroxystilbamidine isethionate

C20H28N4O9S2 (532.1297638000001)


   

Pirbenicillin sodium

Pirbenicillin sodium

C24H25N6NaO5S (532.150476)


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

   

Plevitrexed, (+/-)-

Plevitrexed, (+/-)-

C26H25FN8O4 (532.1982701999999)


   

N2,N7-Bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamide

N2,N7-Bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamide

C29H28N2O4S2 (532.1490408000001)


   

(-)-Maackiain-3-O-glucosyl-6-O-malonate

(-)-Maackiain-3-O-glucosyl-6-O-malonate

C25H24O13 (532.1216853999999)


   

(+)-sesaminol 2-O-beta-D-glucoside

(+)-sesaminol 2-O-beta-D-glucoside

C26H28O12 (532.1580688)


   

Calycosin-7-O-beta-D-glucoside-6-O-malonate

Calycosin-7-O-beta-D-glucoside-6-O-malonate

C25H24O13 (532.1216853999999)


   

3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]oxan-2-yl]methoxy]propanoic acid

3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]oxan-2-yl]methoxy]propanoic acid

C25H24O13 (532.1216853999999)


   

longipedumin A

longipedumin A

C31H32O8 (532.2097072)


A lignan isolated from the roots and stems of Kadsura longipedunculata and has been shown to exhibit inhibitory activity against HIV-1 protease.

   

(2R,3R)-5,5,6,6,8,8-hexahydroxy-2,2,3-trimethyl-2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione

(2R,3R)-5,5,6,6,8,8-hexahydroxy-2,2,3-trimethyl-2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione

C29H24O10 (532.1369404)


   

2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide

2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide

C28H25ClN4O3S (532.133581)


   

2-(4-Acetoxy-3-ethoxy-benzylidene)-7-methyl-3-oxo-5-styryl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

2-(4-Acetoxy-3-ethoxy-benzylidene)-7-methyl-3-oxo-5-styryl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

C29H28N2O6S (532.1667988)


   

L-tryptophyl-AMP(1-)

L-tryptophyl-AMP(1-)

C21H23N7O8P- (532.1345668)


   

flavonol 3-O-D-xylosyl-D-galactoside

flavonol 3-O-D-xylosyl-D-galactoside

C26H28O12 (532.1580688)


A glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-galactosyl residue at position 3 via a glycosidic linkage.

   

Hexakis(pyridine)nickel(2+)

Hexakis(pyridine)nickel(2+)

C30H30N6Ni+2 (532.188529)


   

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

2-[(3S,6aS,8R,10aS)-1-(3,5-dichlorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[(3S,6aS,8R,10aS)-1-(3,5-dichlorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C27H30Cl2N2O5 (532.1531669999999)


   

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3S,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[(3S,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C27H30Cl2N2O5 (532.1531669999999)


   

2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C27H30Cl2N2O5 (532.1531669999999)


   

(1S)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1S)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

C29H26F2N4O4 (532.192202)


   

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C23H33ClN2O6S2 (532.1468468)


   

2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C26H32N2O8S (532.1879272)


   

2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C27H30Cl2N2O5 (532.1531669999999)


   

(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

C29H26F2N4O4 (532.192202)


   

(1R)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

C29H26F2N4O4 (532.192202)


   

2,6-Di-O-acetylisoorientin

2,6-Di-O-acetylisoorientin

C25H24O13 (532.1216853999999)


   

flavonol 3-O-D-xylosyl-D-glucoside

flavonol 3-O-D-xylosyl-D-glucoside

C26H28O12 (532.1580688)


A glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-glucosyl residue at position 3 via a glycosidic linkage.

   

7-(2-Hydroxy-3-amino-3-carboxypropyl)wyosine 5-monophosphate

7-(2-Hydroxy-3-amino-3-carboxypropyl)wyosine 5-monophosphate

C18H25N6O11P (532.131887)


   

Cercosporin dianion

Cercosporin dianion

C29H24O10-2 (532.1369404)


   

6-[4-[6-Carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-[6-Carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H28O12 (532.1580688)


   

3,4,5-Trihydroxy-6-[[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid

C27H32O11 (532.1944522)


   

8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C30H28O9 (532.1733238)


   

(2S,3S,4S,5R)-6-[(4-acetamidophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[(4-acetamidophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

C23H24N4O9S (532.1263934)


   

malonylglycitin

malonylglycitin

C25H24O13 (532.1216853999999)


A glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6.

   

sesaminol 2-O-beta-D-glucoside

sesaminol 2-O-beta-D-glucoside

C26H28O12 (532.1580688)


A beta-D-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a beta-D-glucopyranoside group. A metabolite found in sesame seeds.

   

Biochanin A 7-(6-malonylglucoside)

Biochanin A 7-(6-malonylglucoside)

C25H24O13 (532.1216853999999)


   

6-Malonyltrifolirhizin

6-Malonyltrifolirhizin

C25H24O13 (532.1216853999999)


   

2,6-Diacetylorientin

2,6-Diacetylorientin

C25H24O13 (532.1216853999999)


   

chaetochromin C

chaetochromin C

C29H24O10 (532.1369404)


A biaryl that is 2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2 and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile.

   

cercosporin(2-)

cercosporin(2-)

C29H24O10 (532.1369404)


A phenolate anion resulting from the deprotonation of the two hydroxy groups at position 5 and 12 of cercosporin. Major microspecies at pH 7.3.

   

ST 21:6;O5;GlcA

ST 21:6;O5;GlcA

C27H32O11 (532.1944522)


   

ST 24:3;O8;S

ST 24:3;O8;S

C24H36O11S (532.1978226)


   

ST 28:7;O5;S

ST 28:7;O5;S

C28H36O8S (532.2130776)


   

5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C27H32O11 (532.1944522)


   

(2s,3r,4s,5s,6r)-2-{[4-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[4-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C27H32O11 (532.1944522)


   

(8r,9r,10r)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-3-phenylprop-2-enoate

(8r,9r,10r)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-3-phenylprop-2-enoate

C31H32O8 (532.2097072)


   

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate

C25H28N2O11 (532.1693018)


   

(2s,3s,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-methylbutanoate

(2s,3s,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-methylbutanoate

C26H28O12 (532.1580688)


   

[(2r,3s,4r,5r,6s)-3-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl acetate

[(2r,3s,4r,5r,6s)-3-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl acetate

C25H24O13 (532.1216853999999)


   

4,12-bis(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-8,11-diol

4,12-bis(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-8,11-diol

C29H24O10 (532.1369404)


   

[3-(acetyloxy)-6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl acetate

[3-(acetyloxy)-6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl acetate

C25H24O13 (532.1216853999999)


   

(2r,3r,4s,5r,6r)-3-hydroxy-6-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}oxan-4-yl 2-(4-hydroxyphenyl)acetate

(2r,3r,4s,5r,6r)-3-hydroxy-6-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}oxan-4-yl 2-(4-hydroxyphenyl)acetate

C27H32O11 (532.1944522)


   

(1s,2s,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate

(1s,2s,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate

C27H32O11 (532.1944522)


   

(21s)-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaene-13,27-diol

(21s)-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaene-13,27-diol

C33H28N2O5 (532.1998118)


   

[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetate

C25H24O13 (532.1216853999999)


   

10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one

10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one

C30H28O9 (532.1733238)


   

(1'r,2r,2'r,6's,7'r,10's,11'r,12'r,14's)-11'-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-yl (2z)-2-[(acetyloxy)methyl]but-2-enoate

(1'r,2r,2'r,6's,7'r,10's,11'r,12'r,14's)-11'-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-yl (2z)-2-[(acetyloxy)methyl]but-2-enoate

C27H32O11 (532.1944522)


   

3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C25H24O13 (532.1216853999999)


   

3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C25H24O13 (532.1216853999999)


   

(3e)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

(3e)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

C26H28O12 (532.1580688)


   

methyl (4z,5r,6r,8r)-6-[(5s)-5-hexyl-2-oxo-5h-furan-3-yl]-8-[(s)-hydroxy[(2s)-6-oxo-2,3-dihydropyran-2-yl]methyl]-4-(hydroxymethylidene)-1,3-dioxo-2-oxaspiro[4.4]nonane-6-carboxylate

methyl (4z,5r,6r,8r)-6-[(5s)-5-hexyl-2-oxo-5h-furan-3-yl]-8-[(s)-hydroxy[(2s)-6-oxo-2,3-dihydropyran-2-yl]methyl]-4-(hydroxymethylidene)-1,3-dioxo-2-oxaspiro[4.4]nonane-6-carboxylate

C27H32O11 (532.1944522)


   

nortryptoquivaline a

nortryptoquivaline a

C28H28N4O7 (532.1957898000001)


   

4-oxo-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}butanoic acid

4-oxo-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}butanoic acid

C25H24O13 (532.1216853999999)


   

3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-phenylprop-2-enoate

3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-phenylprop-2-enoate

C31H32O8 (532.2097072)