Exact Mass: 552.284223
Exact Mass Matches: 552.284223
Found 500 metabolites which its exact mass value is equals to given mass value 552.284223
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Antioside
Bipindogulomethyloside
Bipindogulomethyloside is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US Isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
Handelin
Handelin is a sesterterpenoid. [(1R,2R,3R,3aR,4S,5S,6R,6aR,9S,9aR,9bR,10S,11R)-2,6-dihydroxy-2,6,9,11-tetramethyl-6-methylidene-2,7-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate is a natural product found in Tanacetum vulgare, Chrysanthemum lavandulifolium, and other organisms with data available. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1]. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1].
Triterpenoid
Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks. [HMDB] Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks.
lokundjoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Desglucocheirotoxol
Convallatoxol is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA. Isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
Arbekacin
Arbekacin is only found in individuals that have used or taken this drug. It is an semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA). Amikacin is also nephrotoxic and ototoxic.Aminoglycosides, such as Arbekacin, inhibit protein synthesis in susceptible bacteria by irreversibly binding to bacterial 30S and 16S ribosomal subunits. Specifically Arbekacin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
PA(2:0/PGF1alpha)
C25H45O11P (552.2699349999999)
PA(2:0/PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/PGF1alpha), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(PGF1alpha/2:0)
C25H45O11P (552.2699349999999)
PA(PGF1alpha/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGF1alpha/2:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
Euhorbiasteroid
Euphorbiasteroid is a natural product found in Macaranga tanarius and Euphorbia lathyris with data available.
EFL1 diterpene
Euphorbia
Bipindogulomethyloside
3-[(3R,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3,9-epoxy-20alphaF-(2-ethyl-4-methyl-pyrrole-3-carbonyloxy)-25-methyl-(5beta)-14beta,13-[1]oxa[4]azapentano-18-nor-pregna-7,16-diene-3beta,11alpha-diol|Batrachotoxinin A-20-(2-ethyl-4-methyl-pyrrol-3-carboxylat) od. Homobatrachotoxin od. Isobatrachotoxin|homobatrachotoxin|O20-(2-ethyl-4-methyl-pyrrole-3-carbonyl)-batrachotoxinin-A
sarmentogenin-3-O-beta-D-allopyranoside|sarmentogenin-3beta-O-(beta-D-alloside)|sarmentogenin-3beta-O-
11-O-trans-Cinnamoyl-12-O-acetyl-17alphaH-marsdenin
(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-16,15-olide-18-oate
16beta-hydroxy-heteroclitalactone H|heteroclitalactone I
(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-15,16-olide-18-oate
3beta,27-dihydroxyolean-12-en-28-oic acid 3-sulfate ester
11-(2-Methylbutanoyl),12-benzoyl-Tenacigenin B|11alpha-O-2-methylbutyryl-12beta-O-benzoyltenacigenin B
2-O-pentadecanoyl-2-hydroxy-8-methoxy-6,7-methylenedioxyisoflavone|aervin D
3,4,5-trihydroxydrhydro-alpha-ionol-9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID
Glu Tyr Asn Lys
C29H44O10_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-5,14-dihydroxy-, (3alpha,5beta,8xi,9xi)
Arbekacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Cys Phe Lys Arg
Cys Phe Gln Arg
Cys Phe Arg Lys
Cys Phe Arg Gln
Cys Lys Phe Arg
Cys Lys Arg Phe
Cys Gln Phe Arg
Cys Gln Arg Phe
Cys Arg Phe Lys
Cys Arg Phe Gln
Cys Arg Lys Phe
Cys Arg Gln Phe
Asp Lys Lys Tyr
Asp Lys Gln Tyr
Asp Lys Tyr Lys
Asp Lys Tyr Gln
Asp Gln Lys Tyr
Asp Gln Tyr Lys
Asp Tyr Lys Lys
Asp Tyr Lys Gln
Asp Tyr Gln Lys
Glu Lys Asn Tyr
Glu Lys Tyr Asn
Glu Asn Lys Tyr
Glu Asn Tyr Lys
Glu Tyr Lys Asn
Phe Cys Lys Arg
Phe Cys Arg Lys
Phe His His Ile
Phe His His Leu
Phe His Ile His
Phe His Leu His
Phe Ile His His
Phe Lys Cys Arg
Phe Lys Lys Met
Phe Lys Met Lys
Phe Lys Met Gln
Phe Lys Gln Met
Phe Lys Arg Cys
Phe Leu His His
Phe Met Lys Lys
Phe Met Lys Gln
Phe Met Gln Lys
Phe Gln Lys Met
Phe Gln Met Lys
Phe Arg Cys Lys
Phe Arg Lys Cys
Gly Lys Trp Tyr
C28H36N6O6 (552.2696195999999)
Gly Lys Tyr Trp
C28H36N6O6 (552.2696195999999)
Gly Trp Lys Tyr
C28H36N6O6 (552.2696195999999)
Gly Trp Tyr Lys
C28H36N6O6 (552.2696195999999)
Gly Tyr Lys Trp
C28H36N6O6 (552.2696195999999)
Gly Tyr Trp Lys
C28H36N6O6 (552.2696195999999)
His Phe His Ile
His Phe His Leu
His Phe Ile His
His Phe Leu His
His His Phe Ile
His His Phe Leu
His His Ile Phe
His His Leu Phe
His Ile Phe His
His Ile His Phe
His Ile Gln Arg
His Ile Arg Gln
His Leu Phe His
His Leu His Phe
His Leu Gln Arg
His Leu Arg Gln
His Gln Ile Arg
His Gln Leu Arg
His Gln Arg Ile
His Gln Arg Leu
His Arg Ile Gln
His Arg Leu Gln
His Arg Gln Ile
His Arg Gln Leu
Ile Phe His His
Ile His Phe His
Ile His His Phe
Ile His Gln Arg
Ile His Arg Gln
Ile Gln His Arg
Ile Gln Arg His
Ile Arg His Gln
Ile Arg Gln His
Lys Cys Phe Arg
Lys Cys Arg Phe
Lys Asp Lys Tyr
Lys Asp Gln Tyr
Lys Asp Tyr Lys
Lys Asp Tyr Gln
Lys Glu Asn Tyr
Lys Glu Tyr Asn
Lys Phe Cys Arg
Lys Phe Lys Met
Lys Phe Met Lys
Lys Phe Met Gln
Lys Phe Gln Met
Lys Phe Arg Cys
Lys Gly Trp Tyr
C28H36N6O6 (552.2696195999999)
Lys Gly Tyr Trp
C28H36N6O6 (552.2696195999999)
Lys Lys Asp Tyr
Lys Lys Phe Met
Lys Lys Met Phe
Lys Lys Tyr Asp
Lys Met Phe Lys
Lys Met Phe Gln
Lys Met Lys Phe
Lys Met Gln Phe
Lys Asn Glu Tyr
Lys Asn Tyr Glu
Lys Gln Asp Tyr
Lys Gln Phe Met
Lys Gln Met Phe
Lys Gln Tyr Asp
Lys Arg Cys Phe
Lys Arg Phe Cys
Lys Arg Ser Tyr
C24H40N8O7 (552.3019810000001)
Lys Arg Tyr Ser
C24H40N8O7 (552.3019810000001)
Lys Ser Arg Tyr
C24H40N8O7 (552.3019810000001)
Lys Ser Tyr Arg
C24H40N8O7 (552.3019810000001)
Lys Trp Gly Tyr
C28H36N6O6 (552.2696195999999)
Lys Trp Tyr Gly
C28H36N6O6 (552.2696195999999)
Lys Tyr Asp Lys
Lys Tyr Asp Gln
Lys Tyr Glu Asn
Lys Tyr Gly Trp
C28H36N6O6 (552.2696195999999)
Lys Tyr Lys Asp
Lys Tyr Asn Glu
Lys Tyr Gln Asp
Lys Tyr Arg Ser
C24H40N8O7 (552.3019810000001)
Lys Tyr Ser Arg
C24H40N8O7 (552.3019810000001)
Lys Tyr Trp Gly
C28H36N6O6 (552.2696195999999)
Leu Phe His His
Leu His Phe His
Leu His His Phe
Leu His Gln Arg
Leu His Arg Gln
Leu Gln His Arg
Leu Gln Arg His
Leu Arg His Gln
Leu Arg Gln His
Met Phe Lys Lys
Met Phe Lys Gln
Met Phe Gln Lys
Met Lys Phe Lys
Met Lys Phe Gln
Met Lys Lys Phe
Met Lys Gln Phe
Met Gln Phe Lys
Met Gln Lys Phe
Asn Glu Lys Tyr
Asn Glu Tyr Lys
Asn Lys Glu Tyr
Asn Lys Tyr Glu
Asn Arg Thr Tyr
Asn Arg Tyr Thr
Asn Thr Arg Tyr
Asn Thr Tyr Arg
Asn Tyr Glu Lys
Asn Tyr Lys Glu
Asn Tyr Arg Thr
Asn Tyr Thr Arg
Gln Asp Lys Tyr
Gln Asp Tyr Lys
Gln Phe Lys Met
Gln Phe Met Lys
Gln His Ile Arg
Gln His Leu Arg
Gln His Arg Ile
Gln His Arg Leu
Gln Ile His Arg
Gln Ile Arg His
Gln Lys Asp Tyr
Gln Lys Phe Met
Gln Lys Met Phe
Gln Lys Tyr Asp
Gln Leu His Arg
Gln Leu Arg His
Gln Met Phe Lys
Gln Met Lys Phe
Gln Arg His Ile
Gln Arg His Leu
Gln Arg Ile His
Gln Arg Leu His
Gln Arg Ser Tyr
Gln Arg Tyr Ser
Gln Ser Arg Tyr
Gln Ser Tyr Arg
Gln Tyr Asp Lys
Gln Tyr Lys Asp
Gln Tyr Arg Ser
Gln Tyr Ser Arg
Arg Cys Phe Lys
Arg Cys Lys Phe
Arg Phe Cys Lys
Arg Phe Lys Cys
Arg His Ile Gln
Arg His Leu Gln
Arg His Gln Ile
Arg His Gln Leu
Arg Ile His Gln
Arg Ile Gln His
Arg Lys Cys Phe
Arg Lys Phe Cys
Arg Lys Ser Tyr
C24H40N8O7 (552.3019810000001)
Arg Lys Tyr Ser
C24H40N8O7 (552.3019810000001)
Arg Leu His Gln
Arg Leu Gln His
Arg Asn Thr Tyr
Arg Asn Tyr Thr
Arg Gln His Ile
Arg Gln His Leu
Arg Gln Ile His
Arg Gln Leu His
Arg Gln Ser Tyr
Arg Gln Tyr Ser
Arg Ser Lys Tyr
C24H40N8O7 (552.3019810000001)
Arg Ser Gln Tyr
Arg Ser Tyr Lys
C24H40N8O7 (552.3019810000001)
Arg Ser Tyr Gln
Arg Thr Asn Tyr
Arg Thr Tyr Asn
Arg Tyr Lys Ser
C24H40N8O7 (552.3019810000001)
Arg Tyr Asn Thr
Arg Tyr Gln Ser
Arg Tyr Ser Lys
C24H40N8O7 (552.3019810000001)
Arg Tyr Ser Gln
Arg Tyr Thr Asn
Ser Lys Arg Tyr
C24H40N8O7 (552.3019810000001)
Ser Lys Tyr Arg
C24H40N8O7 (552.3019810000001)
Ser Gln Arg Tyr
Ser Gln Tyr Arg
Ser Arg Lys Tyr
C24H40N8O7 (552.3019810000001)
Ser Arg Gln Tyr
Ser Arg Tyr Lys
C24H40N8O7 (552.3019810000001)
Ser Arg Tyr Gln
Ser Tyr Lys Arg
C24H40N8O7 (552.3019810000001)
Ser Tyr Gln Arg
Ser Tyr Arg Lys
C24H40N8O7 (552.3019810000001)
Ser Tyr Arg Gln
Thr Asn Arg Tyr
Thr Asn Tyr Arg
Thr Arg Asn Tyr
Thr Arg Tyr Asn
Thr Tyr Asn Arg
Thr Tyr Arg Asn
Trp Gly Lys Tyr
C28H36N6O6 (552.2696195999999)
Trp Gly Tyr Lys
C28H36N6O6 (552.2696195999999)
Trp Lys Gly Tyr
C28H36N6O6 (552.2696195999999)
Trp Lys Tyr Gly
C28H36N6O6 (552.2696195999999)
Trp Tyr Gly Lys
C28H36N6O6 (552.2696195999999)
Trp Tyr Lys Gly
C28H36N6O6 (552.2696195999999)
Tyr Asp Lys Lys
Tyr Asp Lys Gln
Tyr Asp Gln Lys
Tyr Glu Lys Asn
Tyr Glu Asn Lys
Tyr Gly Lys Trp
C28H36N6O6 (552.2696195999999)
Tyr Gly Trp Lys
C28H36N6O6 (552.2696195999999)
Tyr Lys Asp Lys
Tyr Lys Asp Gln
Tyr Lys Glu Asn
Tyr Lys Gly Trp
C28H36N6O6 (552.2696195999999)
Tyr Lys Lys Asp
Tyr Lys Asn Glu
Tyr Lys Gln Asp
Tyr Lys Arg Ser
C24H40N8O7 (552.3019810000001)
Tyr Lys Ser Arg
C24H40N8O7 (552.3019810000001)
Tyr Lys Trp Gly
C28H36N6O6 (552.2696195999999)
Tyr Asn Glu Lys
Tyr Asn Lys Glu
Tyr Asn Arg Thr
Tyr Asn Thr Arg
Tyr Gln Asp Lys
Tyr Gln Lys Asp
Tyr Gln Arg Ser
Tyr Gln Ser Arg
Tyr Arg Lys Ser
C24H40N8O7 (552.3019810000001)
Tyr Arg Asn Thr
Tyr Arg Gln Ser
Tyr Arg Ser Lys
C24H40N8O7 (552.3019810000001)
Tyr Arg Ser Gln
Tyr Arg Thr Asn
Tyr Ser Lys Arg
C24H40N8O7 (552.3019810000001)
Tyr Ser Gln Arg
Tyr Ser Arg Lys
C24H40N8O7 (552.3019810000001)
Tyr Ser Arg Gln
Tyr Thr Asn Arg
Tyr Thr Arg Asn
Tyr Trp Gly Lys
C28H36N6O6 (552.2696195999999)
Tyr Trp Lys Gly
C28H36N6O6 (552.2696195999999)
Deglucocheirotoxol
Cuspidoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Emetine hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents C784 - Protein Synthesis Inhibitor
2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium,dichloride
C34H46Cl2N2 (552.3037856000001)
LEE011 succinate
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
1,1-Hexadecane-1,16-diylbis(1-methylpyrrolidinium) dibromide
14,15-Dihydroajugapitin
A diterpenoid isolated from the aerial parts of Ajuga bracteosa.
2-{bis[3-(dimethylamino)propyl]amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium
3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
15-hydroxyajubractin C
A diterpenoid isolated from the aerial parts of Ajuga bracteosa.