Exact Mass: 548.1536464000001

Exact Mass Matches: 548.1536464000001

Found 217 metabolites which its exact mass value is equals to given mass value 548.1536464000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

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

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

C27H32O12 (548.1893672)


   
   

Chrysin 6-C-glucoside 8-C-arabinoside

Chrysin 6-C-glucoside 8-C-arabinoside

C26H28O13 (548.1529838)


   

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

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)


   
   

Paratunamide D (not validated)

Paratunamide D (not validated)

C26H32N2O11 (548.2006001999999)


Annotation level-3

   

Molludistin 2-O-xyloside

Molludistin 2-O-xyloside

C26H28O13 (548.1529838)


   
   

Pannellin 1-O-acetate

(-)-Pannellin 1-O-acetate

C30H28O10 (548.1682388)


   

Rubiadin primeveroside

Rubiadin primeveroside

C26H28O13 (548.1529838)


   
   
   

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)

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

C26H28O13 (548.1529838)


   
   

Almeidein

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

C26H28O13 (548.1529838)


   
   
   

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

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

C25H24O14 (548.1166003999999)


   
   

Daphneticin 4-beta-D-glucopyranoside

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)


   
   
   
   
   
   
   

Mollupentin 2-O-rhamnoside

Mollupentin 2-O-rhamnoside

C26H28O13 (548.1529838)


   

Cerarvensin 2-O-rhamnoside

Cerarvensin 2-O-rhamnoside

C26H28O13 (548.1529838)


   

Pratensein 7-O-(6-malonylglucoside)

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

Kurramine 2beta-N-oxide

C33H28N2O6 (548.1947268)


   

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

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

C26H28O13 (548.1529838)


   

Kurramine 2alpha-N-oxide

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)

Peonidin 3-(6-malonylglucoside)

C25H24O14 (548.1166003999999)


   

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

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

C26H28O13 (548.1529838)


Annotation level-3

   

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

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

C26H28O13 (548.1529838)


   
   

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

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

C26H28O13 (548.1529838)


   

daphneticin 4-O-beta-D-glucopyranoside

daphneticin 4-O-beta-D-glucopyranoside

C26H28O13 (548.1529838)


   
   

chloromethyl schisantherin B

chloromethyl schisantherin B

C28H33ClO9 (548.1812998)


   
   

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

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

C23H32O15 (548.1741122)


   
   

(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

(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

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

7-O-apioglucosyl-7,4-dihydroxyflavone

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

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)


   
   
   
   
   

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

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

C27H32O12 (548.1893672)


   
   

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

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

C26H28O13 (548.1529838)


   
   
   

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

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

C26H28O13 (548.1529838)


   

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

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

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

C26H28O13 (548.1529838)


   
   

Rottlerin-3,4-Dihydroxy

Rottlerin-3,4-Dihydroxy

C30H28O10 (548.1682388)


   
   

3-chloro-4-O-demethylmicrophyllinic acid

3-chloro-4-O-demethylmicrophyllinic acid

C28H33ClO9 (548.1812998)


   
   
   

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

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

C27H32O12 (548.1893672)


   
   

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

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

C26H28O13 (548.1529838)


   
   

Rocaglamide derivative 10

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)

Apigeninidin 5-(5-caffeylarabinoside)

C29H24O11 (548.1318554)


   

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

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

Chrysoeriol 7-O-malonylhexoside

C25H24O14 (548.1166003999999)


   

Chrysin 6-C-glucoside 8-C-arabinoside

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

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

[(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

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

[(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 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 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 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)


   

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 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 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 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

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

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

C27H33BrO5S (548.1231948000001)


   
   

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

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)


   
   

1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene

1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene

C29H22F6S2 (548.1067044)


   

5-DMT-2-F-dU

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

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

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

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

C25H28N2O12 (548.1642168000001)


D064449 - Sequestering Agents > D002614 - Chelating Agents

   
   

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

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

C25H29ClN4O8 (548.1673824000001)


   

Belumosudil Mesylate

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

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

(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

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

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)


   

3-[[(2R,3S,4S,5R,6S)-6-[8-chloro-4-oxo-2-(2-phenylethyl)chromen-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

3-[[(2R,3S,4S,5R,6S)-6-[8-chloro-4-oxo-2-(2-phenylethyl)chromen-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C26H25ClO11 (548.108533)


   

(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

(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

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

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

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

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

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

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

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

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

(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

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

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

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

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

(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)


   
   
   

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

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

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

(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

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

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

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

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

(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)


   
   
   

APS6-45

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

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

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

(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

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

(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

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

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

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

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

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

[(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

(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

(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)