Exact Mass: 554.1729296000001
Exact Mass Matches: 554.1729296000001
Found 227 metabolites which its exact mass value is equals to given mass value 554.1729296000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
lappaol C
3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose
Marmesin rutinoside
Marmesin rutinoside is found in herbs and spices. Marmesin rutinoside is a constituent of the roots of Murraya koenigii (curry leaf tree). Constituent of the roots of Murraya koenigii (curry leaf tree). Marmesin rutinoside is found in herbs and spices.
Lippioside II
Lippioside II is found in herbs and spices. Lippioside II is a constituent of Lippia graveolens (Mexican oregano)
Lappaol C
Lappaol c is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol c can be found in burdock, which makes lappaol c a potential biomarker for the consumption of this food product.
Isolappaol C
Isolappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isolappaol c can be found in burdock, which makes isolappaol c a potential biomarker for the consumption of this food product.
Arctignan A
Arctignan a is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Arctignan a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctignan a can be found in burdock, which makes arctignan a a potential biomarker for the consumption of this food product.
Lappaol E
Lappaol e is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol e is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol e can be found in burdock, which makes lappaol e a potential biomarker for the consumption of this food product.
7-O-Methylaloeresin A
7-O-Methylaloeresin A is a natural product found in Aloe africana, Aloe perryi, and Aloe marlothii with data available.
8-C-Glucosylchromone 2-O-p-methoxycoumaroyl 5-methyl-7-hydroxy 2-acetonyl
Ligustrosidic acid
Ligustrosidic acid is a natural product found in Ligustrum lucidum and Ligustrum japonicum with data available. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1]. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1].
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Guajacylglycerin-beta-pinoresinol-aether|Guajacylglycerin-epipinoresinol-aether
7-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]demethylsuberosin
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-3-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin H
6-O-[(6-O-allophanyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
(2S)-2-<2-(6-methoxy)-naphthyl>propyonyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-2-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin I
Me glycoside,3-nenzyl,tetra-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose
(7S,8R)-4,7,9,9-tetrahydroxy-3,3-dimethoxy-7-oxo-8-4-oxyneolignan-4-O-beta-D-glucopyranoside|arctiinoside A
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
4-(O-beta-D-glucopyranosyl)-7,9-dihydroxy-3,3,5-trimethoxy-8,4-oxy-9-norneolignan-7-one
(1S*,2R*,3S*,6S*,7R*,8R*,9S*,10S*,11R*,13Z)-3,9-diacetoxy-6-chloro-8-hydroxy-2-propionyloxybriara-5(16),13-diene-12,18-dione|3, 9-Di-Ac, 2-propanoyl-6-Chloro-2, 3, 8, 9-tetrahydroxy-12-oxo-5(16), 13-briaradien-18, 7-olide
(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-Massoniresinol 4-O-??-D-glucopyranoside
6-methoxysorigenin-8-O-rutinoside|8,9-dihydroxy-6-methoxy-naphthalide 8-O-beta-rutinoside
(3aS,3bR,3cR,4aS,5R,5aR,8aS,8bS,9S,10S,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(1-oxopropoxy)-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one|yuanhuaoate A
(-)-(7S,8R,7E)-4,7,9,3,9-pentahydroxy-3,5-dimethoxy-8-4-oxyneolign-7-ene-3-O-beta-D-glucopyranoside
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->6)-5-hydroxy-7-methoxy-flavanone|sarcandrone D
rel-1beta-(4,6-dihydroxy-2-methoxy)benzoyl-2alpha-(2,6-dimethoxy-4-hydroxy)benzoyl-(3beta,4alpha)-diphenylcyclobutane|rel-1??-(4,6-Dihydroxy-2-methoxy)-benzoyl-rel-2??-(2,6-dimethoxy-4-hydroxy)-benzoyl-rel-(3??,4??)-diphenylcyclobutane
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->8)-7-hydroxy-5-methoxy-flavanone|sarcandrone C
cleistanthin D
A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group.
C26H34O13_Methyl (4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-5-{[3-(4-hydroxyphenyl)propanoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate_major
Asp Glu Glu Tyr
Asp Glu Tyr Glu
Asp Tyr Glu Glu
Glu Asp Glu Tyr
Glu Asp Tyr Glu
Glu Glu Asp Tyr
Glu Glu Phe Met
Glu Glu Met Phe
Glu Glu Tyr Asp
Glu Phe Glu Met
Glu Phe Met Glu
Glu Met Glu Phe
Glu Met Phe Glu
Glu Tyr Asp Glu
Glu Tyr Glu Asp
Phe Glu Glu Met
Phe Glu Met Glu
Phe Met Glu Glu
His His Met Met
C22H34N8O5S2 (554.2093474000001)
His Met His Met
C22H34N8O5S2 (554.2093474000001)
His Met Met His
C22H34N8O5S2 (554.2093474000001)
Met Glu Glu Phe
Met Glu Phe Glu
Met Phe Glu Glu
Met His His Met
C22H34N8O5S2 (554.2093474000001)
Met His Met His
C22H34N8O5S2 (554.2093474000001)
Met Met His His
C22H34N8O5S2 (554.2093474000001)
Met Asn Gln Tyr
C23H34N6O8S (554.2158724000001)
Met Asn Tyr Gln
C23H34N6O8S (554.2158724000001)
Met Gln Asn Tyr
C23H34N6O8S (554.2158724000001)
Met Gln Tyr Asn
C23H34N6O8S (554.2158724000001)
Met Tyr Asn Gln
C23H34N6O8S (554.2158724000001)
Met Tyr Gln Asn
C23H34N6O8S (554.2158724000001)
Asn Met Gln Tyr
C23H34N6O8S (554.2158724000001)
Asn Met Tyr Gln
C23H34N6O8S (554.2158724000001)
Asn Gln Met Tyr
C23H34N6O8S (554.2158724000001)
Asn Gln Tyr Met
C23H34N6O8S (554.2158724000001)
Asn Tyr Met Gln
C23H34N6O8S (554.2158724000001)
Asn Tyr Gln Met
C23H34N6O8S (554.2158724000001)
Gln Met Asn Tyr
C23H34N6O8S (554.2158724000001)
Gln Met Tyr Asn
C23H34N6O8S (554.2158724000001)
Gln Asn Met Tyr
C23H34N6O8S (554.2158724000001)
Gln Asn Tyr Met
C23H34N6O8S (554.2158724000001)
Gln Tyr Met Asn
C23H34N6O8S (554.2158724000001)
Gln Tyr Asn Met
C23H34N6O8S (554.2158724000001)
Tyr Asp Glu Glu
Tyr Glu Asp Glu
Tyr Glu Glu Asp
Tyr Met Asn Gln
C23H34N6O8S (554.2158724000001)
Tyr Met Gln Asn
C23H34N6O8S (554.2158724000001)
Tyr Asn Met Gln
C23H34N6O8S (554.2158724000001)
Tyr Asn Gln Met
C23H34N6O8S (554.2158724000001)
Tyr Gln Met Asn
C23H34N6O8S (554.2158724000001)
Tyr Gln Asn Met
C23H34N6O8S (554.2158724000001)
Lippioside II
Marmesin rutinoside
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate,4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
5-O-(4,4-dimethoxytrityl)-2-deoxyinosine
C31H30N4O6 (554.2165239999999)
DMT-dI (5'-O-DMT-dI) is a deoxyuridine which can be used in the preparation of convertible nucleoside derivatives[1].
6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium Hexafluorophosphate
C18H27ClF6N6OP2 (554.1314213999999)
4-METHYLPHENYL2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-SS-D-GLUCOPYRANOSIDE
Rolapitant Hydrochloride
C25H29ClF6N2O3 (554.1770786000001)
D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].
Bedaquiline
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfonyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
(R,S)-Ambrisentan-acyl-beta-D-glucuronide min. 95\\%
6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide hydrochloride
Desmethyldescarbamoylnovobiocin(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of desmethyldescarbamoylnovobiocin.
[(2R,3S,4S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
(4R)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
Cudranian 1
A flavonol 7-O-beta-D-glucoside that is kaempferol substituted by a p-hydroxybenzyl group at position 6 and a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is isolated from the root barks of Cudrania tricuspidata and exhibits radical scavenging effects against 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and anti-lipid peroxidation efficacy on human low-density lipoprotein by TBARS assay.
2-acetamido-6-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranose
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
[(2R,3S,4S,5S)-4-Hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl] hydrogen phosphate
alpha-9-Ac-NeuNAc-(2->6)-GalNAc
An amino disaccharide epitope consisting of an N-acetylglucosamine having an N-acetyl-9-O-acetylneuraminic acid attached via an alpha-(2->6)-linkage
Agrocinopine A
A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose.
Siremadlin
Siremadlin (NVP-HDM201) is a potent, orally bioavailable and highly specific p53-MDM2 interaction inhibitor.
(3r)-4-hydroxy-3-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
(2r)-5-hydroxy-6-[(2s,4s)-7-hydroxy-5,8-dimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-yl]-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(17r,18r)-18-[(2r)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-13,15-dihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione
(2s,3r,4r,5r,6r)-2-{3-benzoyl-2,4,6-trihydroxy-5-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione
4-hydroxy-3-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
(2s,10r,11r)-10-(3,4-dimethoxyphenyl)-2-hydroxy-4,6-dimethoxy-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁸]nonadeca-1(12),3,5,7,18-pentaen-13-one
(2r)-5-{n-hydroxy-1-[(4s,5r)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-2-({hydroxy[(4s,5r)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)pentanoic acid
({[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl](methyl)amino}oxy)methyl acetate
C31H30N4O6 (554.2165239999999)