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]
Chrysoeriol 7-O-(6'-malonyl-glucoside)
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
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
Myricetin 3-(3',4'-diacetylrhamnoside)
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
C28H28N4O6S (548.1729468000001)
1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
C25H28N2O12 (548.1642168000001)
Carboxydextran
Mirificin
Phthalocyanine chloride
Pueraria glycoside 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]. 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
Sibiricose A6 is a natural product found in Polygala arillata, Polygala karensium, and other organisms with data available.
Mirificin
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
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
Paratunamide D (not validated)
C26H32N2O11 (548.2006001999999)
Annotation level-3
Ambonin
(2R,3R)-3,5,7,4-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)
Luteolin 4-methyl ether 7-(6-malonylglucoside)
Quercetin 3-(3,6-diacetylgalactoside)
Isohemsleyanoside
Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
3,4-Dihydroxyrottlerin
Myricetin 3-(3,4-diacetylrhamnoside)
Anthraquinone base + 1O, MeOH, O-Hex-Pen
Annotation level-3
soranjidiol 6-O-beta-primveroside|soranjidion-6-O-beta-primeveroside
chrysophanol 8-O-xylosyl-(1<*>6)-glucoside|chrysophanol 8-O-xylosyl-(1[*]6)-glucoside
Hexa-Ac-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|Hexa-Ac-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
(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
di[benzoic acid] 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-diyl ester|thelephantin M
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
2,5-dihydroxy-4-methoxyphenanthrene 2-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
4?-hydroxyisoflavone-7-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside
chrysin-3-C-alpha-arabinopyranosyl-8-C-beta-glucopyranoside
1-O-trans-caffeoyl-5-O-7,8-dihydro-7alpha-methoxycaffeoylquinic acid
1-O-7,8-dihydro-7alpha-methoxycaffeoyl-5-O-trans-caffeoylquinic acid
(2-hydroxy-3-methoxy-5-allyl)phenyl beta-D-(6-O-E-sinapoyl)glucopyranoside
3-O-D-Apio-beta-D-furanoside,7-O-alpha-L-rhamnopyranoside-3,4,7-Trihydroxyflavone
Tyr His Asp Asp
Chrysin 6-C-glucoside 8-C-arabinoside
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
Chrysin 6-C-arabinoside 8-C-glucoside is a natural product found in Scutellaria baicalensis with data available.
MaohuosideA
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
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
C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl
C23H32O15_alpha-D-Glucopyranoside, beta-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]
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
[(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_major
Cys Thr Tyr Tyr
Cys Tyr Thr Tyr
Cys Tyr Tyr Thr
Asp Asp His Tyr
Asp Asp Asn Trp
Asp Asp Trp Asn
Asp Asp Tyr His
Asp His Asp Tyr
Asp His Tyr Asp
Asp Asn Asp Trp
Asp Asn Trp Asp
Asp Trp Asp Asn
Asp Trp Asn Asp
Asp Tyr Asp His
Asp Tyr His Asp
His Asp Asp Tyr
His Asp Tyr Asp
His Met Met Met
His Tyr Asp Asp
Met His Met Met
Met Met His Met
Met Met Met His
Asn Asp Asp Trp
Asn Asp Trp Asp
Asn Trp Asp Asp
Thr Cys Tyr Tyr
Thr Tyr Cys Tyr
Thr Tyr Tyr Cys
Trp Asp Asp Asn
Trp Asp Asn Asp
Trp Asn Asp Asp
Tyr Cys Thr Tyr
Tyr Cys Tyr Thr
Tyr Asp Asp His
Tyr Asp His Asp
Tyr Thr Cys Tyr
Tyr Thr Tyr Cys
Tyr Tyr Cys Thr
Tyr Tyr Thr Cys
Neobetanin
Luteolin 3'-methyl ether 7-malonylglucoside
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
C30H29ClN2O4S (548.1536464000001)
1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene
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
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
3,6-Bis(dimethylamino)-10-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}acridinium perchlorate
C25H29ClN4O8 (548.1673824000001)
Belumosudil Mesylate
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
CID 44715843
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
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
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-[[(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
(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
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
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
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-(6-methyl-1,3-benzothiazol-2-yl)benzamide
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
(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
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
(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
7-hydroxyflavanone 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]
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
(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
4-[[4-(dimethylamino)phenyl]methyl]-1-methyl-2-phenyl-4a,8a-dihydro-4H-pyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonic 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
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-[(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
(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
APS6-45
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
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
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
(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
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
(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)