Exact Mass: 548.1588572

Exact Mass Matches: 548.1588572

Found 241 metabolites which its exact mass value is equals to given mass value 548.1588572, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Chrysoeriol 7-O-(6'-malonyl-glucoside)

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

C25H24O14 (548.1166003999999)

Isolated from Petroselinum hortense (parsley). Chrysoeriol 7-(6-malonylglucoside) is found in many foods, some of which are herbs and spices, celery leaves, wild celery, and parsley. Chrysoeriol 7-O-(6-malonyl-glucoside) is found in celery leaves. Chrysoeriol 7-O-(6-malonyl-glucoside) is isolated from Petroselinum hortense (parsley).

Neobetanin

4-[2-(2-carboxy-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-1-yl)ethenyl]pyridine-2,6-dicarboxylic acid

C24H24N2O13 (548.1278334)

Neobetanin is found in fruits. Neobetanin is present in roots of red beet (Beta vulgaris ssp. vulgaris var. conditiva). Also in flowers of Barbary fig (Opuntia ficus-indica

5,7-dihydroxy-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one

C26H28O13 (548.1529838)

Myricetin 3-(3',4'-diacetylrhamnoside)

3-(Acetyloxy)-6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl acetic acid

C25H24O14 (548.1166003999999)

Myricetin 3-(3,4-diacetylrhamnoside) is found in fruits. Myricetin 3-(3,4-diacetylrhamnoside) is a constituent of Myrsine africana (cape myrtle)

(1-((2-Methoxy-4-(((phenylsulfonyl)amino)carbonyl)phenyl)methyl)-1H-indazol-6-yl)carbamic acid cyclopentyl ester

Carbamic acid, (1-((2-methoxy-4-(((phenylsulfonyl)amino)carbonyl)phenyl)methyl)-1H-indazol-6-yl)-, cyclopentyl ester

C28H28N4O6S (548.1729468000001)

1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester

2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl]amino)acetic acid

C25H28N2O12 (548.1642168000001)

Carboxydextran

3,4,5,6-tetrahydroxy-2-oxo-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}heptanoic acid

C19H32O18 (548.1588572)

Hippurate nitrogen

bis({[2-(phenylformamido)acetyl]oxy})amino 2-(phenylformamido)acetate

C27H24N4O9 (548.1543214)

Mirificin

8-[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O13 (548.1529838)

Phthalocyanine chloride

40-chloro-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C32H17ClN8 (548.1264632)

Pueraria glycoside 2

7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one

C26H28O13 (548.1529838)

Puerarin 6''-O-Xyloside, isolated from radix of Pueraria lobata (Willd.), possesses snti-osteoporotic and anti-tumor activity. Puerarin 6''-O-Xyloside induces the mitochondria-mediated apoptosis pathway.[1][2]. Puerarin 6''-O-Xyloside, isolated from radix of Pueraria lobata (Willd.), possesses snti-osteoporotic and anti-tumor activity. Puerarin 6''-O-Xyloside induces the mitochondria-mediated apoptosis pathway.[1][2].

Sibiricose A6

[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

Sibiricose A6 is a natural product found in Polygala arillata, Polygala karensium, and other organisms with data available.

Mirificin

8-((2S,3R,4R,5S,6R)-6-((((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O13 (548.1529838)

Mirificin is a flavone C-glycoside that is 7,4-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside. Mirificin is a natural product found in Pueraria montana var. lobata with data available. A flavone C-glycoside that is 7,4-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. Mirificin (Puerarin apioside) is a isoflavone in Puerariae Lobatae Radix. Mirificin inhibits tyrosinase (TYR) with an IC50 of 12.66 μM[1]. Mirificin (Puerarin apioside) is a isoflavone in Puerariae Lobatae Radix. Mirificin inhibits tyrosinase (TYR) with an IC50 of 12.66 μM[1].

Sibiricose

[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

Sibiricose A6 is a natural product found in Polygala arillata, Polygala karensium, and other organisms with data available.

Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside

8-alpha-L-Arabinofuranosyl-6-beta-D-glucopyranosyl-5,7-dihydroxyflavone

C26H28O13 (548.1529838)

Neohancoside D

C23H32O15 (548.1741122)

Paratunamide D (not validated)

C26H32N2O11 (548.2006001999999)

Annotation level-3

Molludistin 2-O-xyloside

C26H28O13 (548.1529838)

Chinexanthone A

C29H24O11 (548.1318554)

Pannellin 1-O-acetate

(-)-Pannellin 1-O-acetate

C30H28O10 (548.1682388)

Rubiadin primeveroside

C26H28O13 (548.1529838)

Ambofuracin

C27H32O12 (548.1893672)

Sparanoside B

C23H32O15 (548.1741122)

Kaempferol 7-(6-p-succinylglucoside)

3,5,7,4-Tetrahydroxyflavone 7- (6"-p-succinylglucoside)

C25H24O14 (548.1166003999999)

Daidzein 7-O-glucoside-4-O-apioside

7,4-Dihydroxyisoflavone 7-O-glucoside-4-O-apioside

C26H28O13 (548.1529838)

Ambonin

7- [ 6- [ [ 3,4-dihydroxy-4- (hydroxymethyl) oxolan-2-yl ] oxymethyl ] -3,4,5-trihydroxyoxan-2-yl ] oxy-3- (4-hydroxyphenyl) chromen-4-one

C26H28O13 (548.1529838)

(2R,3R)-3,5,7,4-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)

C26H28O13 (548.1529838)

Gaertneroside

C26H28O13 (548.1529838)

Almeidein

5,4-Dihydroxy-7-methoxyflavone 6,8-di-C-arabinopyranoside

C26H28O13 (548.1529838)

BCP10902

C26H28O13 (548.1529838)

Hymenoside D

C27H32O12 (548.1893672)

Luteolin 4-methyl ether 7-(6-malonylglucoside)

5,7,3-Trihydroxy-4-methoxyflavone 7- (6"-malonylglucoside)

C25H24O14 (548.1166003999999)

Sinocrassoside D1

C26H28O13 (548.1529838)

Daphneticin 4-beta-D-glucopyranoside

C26H28O13 (548.1529838)

Quercetin 3-(3,6-diacetylgalactoside)

3- [ (3-O,6-O-Diacetyl-beta-D-galactopyranosyl) oxy ] -3,4,5,7-tetrahydroxyflavone

C25H24O14 (548.1166003999999)

FT-0775560

C23H32O15 (548.1741122)

Piscroside A

C23H29ClO13 (548.1296614)

Thelephantin E

C33H24O8 (548.1471104)

Hymenoside C

C27H32O12 (548.1893672)

Trilobatin B

C26H28O13 (548.1529838)

Sessilifoside

C26H28O13 (548.1529838)

Mollupentin 2-O-rhamnoside

C26H28O13 (548.1529838)

Cerarvensin 2-O-rhamnoside

C26H28O13 (548.1529838)

Pratensein 7-O-(6-malonylglucoside)

C25H24O14 (548.1166003999999)

Hemsleyanoside

5,7,4-Trihydroxyflavone 6-C-alpha-L-arabinopyranoside-4"-O-rhamnoside

C26H28O13 (548.1529838)

Isohemsleyanoside

8- [ 4-O- (6-Deoxy-alpha-L-mannopyranosyl) -alpha-L-arabinopyranosyl ] -5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H28O13 (548.1529838)

Kurramine 2beta-N-oxide

C33H28N2O6 (548.1947268)

Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside

C26H28O13 (548.1529838)

Kurramine 2alpha-N-oxide

C33H28N2O6 (548.1947268)

3,4-Dihydroxyrottlerin

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

C30H28O10 (548.1682388)

Luteolin 3-methyl ether 7-malonylglucoside

5,7,4-Trihydroxy-3-methoxyflavone 7-malonylglucoside

C25H24O14 (548.1166003999999)

Myricetin 3-(3,4-diacetylrhamnoside)

3- [ (3,4-Di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl) oxy ] -5,7-dihydroxy-2- (3,4,5-trihydroxyphenyl) -4H-1-benzopyran-4-one

C25H24O14 (548.1166003999999)

Peonidin 3-(6-malonylglucoside)

C25H24O14 (548.1166003999999)

Anthraquinone base + 1O, MeOH, O-Hex-Pen

C26H28O13 (548.1529838)

Annotation level-3

4-Epigummadiol-4-O-beta-D-glucosid

C26H28O13 (548.1529838)

Elsinochrome C

C30H28O10 (548.1682388)

C26H28O13

C26H28O13 (548.1529838)

soranjidiol 6-O-beta-primveroside|soranjidion-6-O-beta-primeveroside

C26H28O13 (548.1529838)

daphneticin 4-O-beta-D-glucopyranoside

C26H28O13 (548.1529838)

ruberitrinic acid

C25H24O14 (548.1166003999999)

chloromethyl schisantherin B

C28H33ClO9 (548.1812998)

Clecarmycin A1

C29H24O11 (548.1318554)

chrysophanol 8-O-xylosyl-(1<>6)-glucoside|chrysophanol 8-O-xylosyl-(1[]6)-glucoside

chrysophanol 8-O-xylosyl-(1<*>6)-glucoside|chrysophanol 8-O-xylosyl-(1[*]6)-glucoside

C26H28O13 (548.1529838)

Hexa-Ac-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|Hexa-Ac-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose

C23H32O15 (548.1741122)

Plucheoside D2

C27H32O12 (548.1893672)

(5R,6S,9S,10S,12S)-15,16-epoxy-2-oxo-6-O-(beta-D-glucopyranosyl)-cleroda-3,7,13(16),14-tetraen-17,12-olid-18-oic acid methyl ester

C27H32O12 (548.1893672)

di[benzoic acid] 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-diyl ester|thelephantin M

C32H20O9 (548.110727)

7-O-apioglucosyl-7,4-dihydroxyflavone

C26H28O13 (548.1529838)

wenchuanensin

C27H32O12 (548.1893672)

FT-0775335

C26H28O13 (548.1529838)

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

C30H28O10 (548.1682388)

Hypomycin D

C30H28O10 (548.1682388)

Hypocrellin b

C30H28O10 (548.1682388)

Rhodalgiside

C25H24O14 (548.1166003999999)

schoepfiajasmin H

C26H28O13 (548.1529838)

2,5-dihydroxy-4-methoxyphenanthrene 2-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside

C27H32O12 (548.1893672)

SCHEMBL17867115

C26H32N2O9S (548.1828422)

4?-hydroxyisoflavone-7-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside

C26H28O13 (548.1529838)

harperfolide

C27H32O12 (548.1893672)

Thelephantin O

C33H24O8 (548.1471104)

chrysin-3-C-alpha-arabinopyranosyl-8-C-beta-glucopyranoside

C26H28O13 (548.1529838)

1-O-trans-caffeoyl-5-O-7,8-dihydro-7alpha-methoxycaffeoylquinic acid

C26H28O13 (548.1529838)

1-O-7,8-dihydro-7alpha-methoxycaffeoyl-5-O-trans-caffeoylquinic acid

C26H28O13 (548.1529838)

kuwanol A

C34H28O7 (548.1834938)

Rottlerin-3,4-Dihydroxy

C30H28O10 (548.1682388)

hypocrellin a

C30H28O10 (548.1682388)

3-chloro-4-O-demethylmicrophyllinic acid

C28H33ClO9 (548.1812998)

marinoid E

C27H32O12 (548.1893672)

Striatoside B

C27H32O12 (548.1893672)

(2-hydroxy-3-methoxy-5-allyl)phenyl beta-D-(6-O-E-sinapoyl)glucopyranoside

C27H32O12 (548.1893672)

Rhodalgisin

C25H24O14 (548.1166003999999)

3-O-D-Apio-beta-D-furanoside,7-O-alpha-L-rhamnopyranoside-3,4,7-Trihydroxyflavone

C26H28O13 (548.1529838)

repenin C

C29H24O11 (548.1318554)

Rocaglamide derivative 10

C30H28O10 (548.1682388)

Tyr His Asp Asp

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

C23H28N6O10 (548.1866828)

Apigeninidin 5-(5-caffeylarabinoside)

C29H24O11 (548.1318554)

Cyanidin 3-O-(6-O-succinyl-beta-glucopyranoside)

C25H24O14 (548.1166003999999)

pelargonidin 3-O-(6\'-O-malyl-beta-D-glucoside)

pelargonidin 3-O-(6\"-O-malyl-beta-D-glucoside)

C25H24O14 (548.1166003999999)

Chrysoeriol 7-O-malonylhexoside

C25H24O14 (548.1166003999999)

Chrysin 6-C-glucoside 8-C-arabinoside

C26H28O13 (548.1529838)

Chrysin 6-C-glucoside 8-C-arabinoside is a natural product found in Scutellaria baicalensis with data available. Chrysin 6-C-glucoside 8-C-arabinoside can inhibit the CGRP releasing and the activation of TRPV1 channel. Chrysin 6-C-glucoside 8-C-arabinoside can be used for anti-migraine research[1].

Chrysin 6-C-arabinoside 8-C-glucoside

5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C26H28O13 (548.1529838)

Chrysin 6-C-arabinoside 8-C-glucoside is a natural product found in Scutellaria baicalensis with data available.

MaohuosideA

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

C27H32O12 (548.1893672)

Maohuoside A, a single compound isolated from the E. koreanum that potently promotes osteogenesis. Maohuoside A enhances the osteogenesis of bone marrow-derived mesenchymal stem cells via bone morphogenetic protein (BMP) and MAPK signaling pathways[1][2]. Maohuoside A, a single compound isolated from the E. koreanum that potently promotes osteogenesis. Maohuoside A enhances the osteogenesis of bone marrow-derived mesenchymal stem cells via bone morphogenetic protein (BMP) and MAPK signaling pathways[1][2].

Sibiricose A1

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

Sibiricose A1 is a hydroxycinnamic acid. Sibiricose A1 is a natural product found in Polygala arillata, Caryopteris incana, and Polygala sibirica with data available. Sibiricose A1is an oligosaccharide ester that can be found in Polygala tenuifolia[1].

5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

NCGC00385059-01!5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O13 (548.1529838)

C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl

NCGC00385084-01_C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl

C23H32O15 (548.1741122)

C23H32O15_alpha-D-Glucopyranoside, beta-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]

NCGC00385221-01_C23H32O15_alpha-D-Glucopyranoside, beta-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-

C23H32O15 (548.1741122)

5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O13 (548.1529838)

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

Flavone base + 3O, 1MeO, O-MalonylHex

C25H24O14 (548.1166003999999)

Annotation level-3

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate_major

C23H32O15 (548.1741122)

Cys Thr Tyr Tyr

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

C25H32N4O8S (548.1940752)

Cys Tyr Thr Tyr

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

C25H32N4O8S (548.1940752)

Cys Tyr Tyr Thr

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

C25H32N4O8S (548.1940752)

Asp Asp His Tyr

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

C23H28N6O10 (548.1866828)

Asp Asp Asn Trp

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

C23H28N6O10 (548.1866828)

Asp Asp Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C23H28N6O10 (548.1866828)

Asp Asp Tyr His

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

C23H28N6O10 (548.1866828)

Asp Phe His Met

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

C24H32N6O7S (548.2053082)

Asp Phe Met His

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

C24H32N6O7S (548.2053082)

Asp His Asp Tyr

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

C23H28N6O10 (548.1866828)

Asp His Phe Met

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

C24H32N6O7S (548.2053082)

Asp His Met Phe

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

C24H32N6O7S (548.2053082)

Asp His Tyr Asp

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

C23H28N6O10 (548.1866828)

Asp Met Phe His

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

C24H32N6O7S (548.2053082)

Asp Met His Phe

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

C24H32N6O7S (548.2053082)

Asp Asn Asp Trp

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

C23H28N6O10 (548.1866828)

Asp Asn Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Asp Trp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C23H28N6O10 (548.1866828)

Asp Trp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Asp Tyr Asp His

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

C23H28N6O10 (548.1866828)

Asp Tyr His Asp

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

C23H28N6O10 (548.1866828)

Phe Asp His Met

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

C24H32N6O7S (548.2053082)

Phe Asp Met His

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

C24H32N6O7S (548.2053082)

Phe His Asp Met

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

C24H32N6O7S (548.2053082)

Phe His Met Asp

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

C24H32N6O7S (548.2053082)

Phe Met Asp His

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

C24H32N6O7S (548.2053082)

Phe Met His Asp

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

C24H32N6O7S (548.2053082)

His Asp Asp Tyr

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

C23H28N6O10 (548.1866828)

His Asp Phe Met

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

C24H32N6O7S (548.2053082)

His Asp Met Phe

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

C24H32N6O7S (548.2053082)

His Asp Tyr Asp

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

C23H28N6O10 (548.1866828)

His Phe Asp Met

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

C24H32N6O7S (548.2053082)

His Phe Met Asp

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

C24H32N6O7S (548.2053082)

His Met Asp Phe

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

C24H32N6O7S (548.2053082)

His Met Phe Asp

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

C24H32N6O7S (548.2053082)

His Met Met Met

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

C21H36N6O5S3 (548.1909206)

His Tyr Asp Asp

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

C23H28N6O10 (548.1866828)

Met Asp Phe His

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

C24H32N6O7S (548.2053082)

Met Asp His Phe

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

C24H32N6O7S (548.2053082)

Met Phe Asp His

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

C24H32N6O7S (548.2053082)

Met Phe His Asp

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

C24H32N6O7S (548.2053082)

Met His Asp Phe

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

C24H32N6O7S (548.2053082)

Met His Phe Asp

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

C24H32N6O7S (548.2053082)

Met His Met Met

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

C21H36N6O5S3 (548.1909206)

Met Met His Met

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

C21H36N6O5S3 (548.1909206)

Met Met Met His

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

C21H36N6O5S3 (548.1909206)

Asn Asp Asp Trp

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

C23H28N6O10 (548.1866828)

Asn Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Asn Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Thr Cys Tyr Tyr

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

C25H32N4O8S (548.1940752)

Thr Tyr Cys Tyr

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

C25H32N4O8S (548.1940752)

Thr Tyr Tyr Cys

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

C25H32N4O8S (548.1940752)

Trp Asp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C23H28N6O10 (548.1866828)

Trp Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Trp Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]butanedioic acid

C23H28N6O10 (548.1866828)

Tyr Cys Thr Tyr

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

C25H32N4O8S (548.1940752)

Tyr Cys Tyr Thr

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

C25H32N4O8S (548.1940752)

Tyr Asp Asp His

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

C23H28N6O10 (548.1866828)

Tyr Asp His Asp

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

C23H28N6O10 (548.1866828)

Sulindac sulfone glucuronide

C26H25FO10S (548.1152402)

Tyr Thr Cys Tyr

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

C25H32N4O8S (548.1940752)

Tyr Thr Tyr Cys

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

C25H32N4O8S (548.1940752)

Tyr Tyr Cys Thr

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

C25H32N4O8S (548.1940752)

Tyr Tyr Thr Cys

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

C25H32N4O8S (548.1940752)

Neobetanin

(1E)-1-[2-(2,6-dicarboxy-1,4-dihydropyridin-4-ylidene)ethylidene]-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1$l^{5}-indol-1-ylium-2-carboxylate

C24H24N2O13 (548.1278334)

Luteolin 3'-methyl ether 7-malonylglucoside

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

C25H24O14 (548.1166003999999)

3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate

C27H33BrO5S (548.1231948000001)

5-O-DMT-2-ara-F-2-dU

C30H29FN2O7 (548.1958695999999)

3-methyl-2-[2-phenyl-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]-1,3-benzothiazol-3-ium,perchlorate

C30H29ClN2O4S (548.1536464000001)

Fmoc-Dap(Fmoc)-OH

C33H28N2O6 (548.1947268)

Almorexant HCI

C29H32ClF3N2O3 (548.2053428)

5-DMT-2-F-dU

C30H29FN2O7 (548.1958695999999)

2'-Deoxy-5'-O-DMT-2'-fluorouridine, a nucleoside analogue, is a 5’-O-DMTr-5-FUDR derivative with potent anti-yellow fever (YFV) activity[1].

Diltiazem malate

C26H32N2O9S (548.1828422)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

Leniolisib Phosphate

C21H28F3N6O6P (548.1759953999999)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

1,2-Bis(2-aminophenoxy)ethane N,N,N,N-tetraacetic acid acetoxymethyl ester

C25H28N2O12 (548.1642168000001)

D064449 - Sequestering Agents > D002614 - Chelating Agents

Brovincamine fumarate

C25H29BrN2O7 (548.1158024)

3,6-Bis(dimethylamino)-10-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}acridinium perchlorate

C25H29ClN4O8 (548.1673824000001)

Belumosudil Mesylate

C27H28N6O5S (548.1841798)

C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor

CID 44715843

Chrysin 6-C-glucoside 8-C-arabinoside

C26H28O13 (548.1529838)

Chrysin 6-C-glucoside 8-C-arabinoside can inhibit the CGRP releasing and the activation of TRPV1 channel. Chrysin 6-C-glucoside 8-C-arabinoside can be used for anti-migraine research[1].

CID 73157790

C23H32O15 (548.1741122)

Sibiricose A1is an oligosaccharide ester that can be found in Polygala tenuifolia[1].

(2S)-1-[(E)-2-[(2S)-6-carboxy-2-carboxylato-2,3-dihydropyridin-4-yl]ethenyl]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylate

C24H24N2O13-2 (548.1278334)

betanidin 5-O-beta-glucoside

C24H24N2O13-2 (548.1278334)

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

C25H24O14 (548.1166003999999)

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

C25H24O14 (548.1166003999999)

4-[(E)-2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid

C24H24N2O13 (548.1278334)

3,4,5,6-Tetrahydroxy-2-oxo-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptanoic acid

C19H32O18 (548.1588572)

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C29H32N4O3S2 (548.1915722)

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C29H32N4O3S2 (548.1915722)

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

(3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

C30H32N2O6S (548.1980972)

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

(3S)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

C30H32N2O6S (548.1980972)

CID 44257210

C26H28O13 (548.1529838)

Edoxaban(1+)

C24H31ClN7O4S+ (548.1846656)

7-hydroxyflavanone 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]

C27H32O12 (548.1893672)

3,4,5-Trihydroxy-6-[[7-hydroxy-6-(3-methylbut-2-enyl)-4-oxo-2-(2,4,5-trihydroxyphenyl)-2,3-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid

C26H28O13 (548.1529838)

(2S,3S,4S,5R)-6-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H25FO10S (548.1152402)

4-[[4-(dimethylamino)phenyl]methyl]-1-methyl-2-phenyl-4a,8a-dihydro-4H-pyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonic acid

C27H29F3N3O4S+ (548.183077)

6-[4-[3-(4,5-Dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-oxopropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H32O12 (548.1893672)

6-[[2-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-3-oxo-1-benzouran-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H28O13 (548.1529838)

6-[(10-Butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-prop-2-enyl-3,4-dihydropyrano[3,2-g]chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H32O12 (548.1893672)

(2S,3S,4S,5R)-6-[2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H25FO10S (548.1152402)

Brovincamine fumarate

C21H25BrN2O3.C4H4O4 (548.1158024)

ST 21:6;O6;GlcA

C27H32O12 (548.1893672)

ST 28:7;O6;S

C28H36O9S (548.2079926)

APS6-45

C23H16F8N4O3 (548.1094602)

APS6-45 is an orally active tumor-calibrated inhibitor (TCI). APS6-45 inhibits RAS/MAPK signaling and exhibits antitumor activity[1].

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

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

C26H28O13 (548.1529838)

4-{[(2s,3s,4s,5s,6s)-6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-oxobutanoic acid

C25H24O14 (548.1166003999999)

3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

C27H32O12 (548.1893672)

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

C27H32O12 (548.1893672)

1-hydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}anthracene-9,10-dione

C26H28O13 (548.1529838)

(3s,4s,4as,6r)-7-{2-[(3s)-2,3-dihydroxyindol-3-yl]ethyl}-4-ethenyl-6-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-one

C26H32N2O11 (548.2006001999999)

methyl (2s,3r,4r,5s,6r)-3-(acetyloxy)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate

C30H28O10 (548.1682388)

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

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

C26H28O13 (548.1529838)

2-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one

C26H28O13 (548.1529838)

3-{[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C26H32N2O9S (548.1828422)

(21s)-13,27-dihydroxy-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-tridecaen-22-ium-22-olate

(21s)-13,27-dihydroxy-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-tridecaen-22-ium-22-olate

C33H28N2O6 (548.1947268)

4-[(1e)-2-(2-carboxy-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindol-1-yl)ethenyl]pyridine-2,6-dicarboxylic acid

C24H24N2O13 (548.1278334)

4-{2-[(2r)-2-carboxy-6-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindol-1-yl]ethenyl}pyridine-2,6-dicarboxylic acid

C24H24N2O13 (548.1278334)

[(2r,3s,4s,5r,6s)-6-{[(2s,3s)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

C26H28O13 (548.1529838)

(1r,2s)-1-(3,4-dihydroxyphenyl)-3-({[(2r,3r,4r,5r)-5-(2,3-dihydroxypropyl)-3,4-dihydroxyoxolan-2-yl]methoxy}carbonyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

C26H28O13 (548.1529838)

(2s,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)