Exact Mass: 504.186568
Exact Mass Matches: 504.186568
Found 500 metabolites which its exact mass value is equals to given mass value 504.186568
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chlorhexidine
C22H30Cl2N10 (504.20318399999996)
Chlorhexidine is only found in individuals that have used or taken this drug. It is a disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. [PubChem]Chlorhexidines antimicrobial effects are associated with the attractions between chlorhexidine (cation) and negatively charged bacterial cells. After chlorhexidine is absorpted onto the organisms cell wall, it disrupts the integrity of the cell membrane and causes the leakage of intracellular components of the organisms. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D - Dermatologicals > D09 - Medicated dressings > D09A - Medicated dressings > D09AA - Medicated dressings with antiinfectives S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides D003358 - Cosmetics > D009067 - Mouthwashes D001697 - Biomedical and Dental Materials D000890 - Anti-Infective Agents D004202 - Disinfectants
Myricatomentoside I
Myricatomentoside I is found in herbs and spices. Myricatomentoside I is a constituent of Myrica gale var. tomentosa
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside] is found in fruits. (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] is a constituent of the leaves and branches of Phyllanthus emblica (emblic). Constituent of the leaves and branches of Phyllanthus emblica (emblic). (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] is found in fruits.
Clocinnamox
C29H29ClN2O4 (504.18157440000004)
4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide
C28H28N2O5S (504.17188380000005)
Hiyodarilactone F
InteriotherinA
InteriotherinA is a natural product found in Schisandra sphenanthera with data available.
1-O-isopropyl-[5-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-apiofuranosyl]-(1?2)-beta-D-glucopyranoside|clausenoside B
(Z)-5?-hydroxyjasmone5?-O-{6??-O-[(E)-caffeoyl]-beta-D-glucopyranoside}|2-[(2Z)-5-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]-beta-D-glucopyranosyl]oxy]pent-2-en-1-yl]-3-methyl-2-cyclopenten-1-one
2-methyl-L-erythritol-4-O-(6-O-trans-sinapoyl)-beta-D-glucopyranoside
2-methyl-L-erythritol-1-O-(6-O-trans-sinapoyl)-beta-D-glucopyranoside
alphaalpha-D-Glucopyranosyl-(1?4)-alpha-D-glucopyranosyl-(1?2)-D-glucose
(3S)-8-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-methoxy-5-methyl-1H-2-benzopyran-1-one|(3S,11E,13E,15E)-8-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-3-heptatrienyl-6-methoxy-5-methylisochroman-1-one
alphaalpha-D-Glucopyranosyl-(1?2)-alpha-D-glucopyranosyl-(1?6)-D-glucose
Sinapyl 9-O-[??-D-apiofuranosyl(1鈥樏傗垎6)]-O-??-D-glucopyranoside
beta-D-fructofuranpsyl-(2-1)-beta-D-fructofuranosyl-(2-6)-D-fructofuranose
(2S,3S)-2-(5-methoxy-3,4-methylenedioxybenzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)butane-1,4-diol diacetate
Maltotriose
A maltotriose trisaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom.. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2]. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2].
Cellulase
Acquisition and generation of the data is financially supported in part by CREST/JST.
D-(+)-Melezitose
D-(+)-Melezitose can be used to identify clinical isolates of indole-positive and indole-negative Klebsiella spp.
Raffinose
Origin: Plant; Formula(Parent): C18H32O16; Bottle Name:D-(+)-Raffinose pentahydrate; PRIME Parent Name:D-Raffinose; PRIME in-house No.:V0044, Polysaccharides Raffinose (Melitose), a non-digestible short-chain?oligosaccharide, is a trisaccharide composed of galactose, glucose, and fructose and can be found in many plants. Raffinose (Melitose) can be hydrolyzed to D-galactose and sucrose by the enzyme α-galactosidase (α-GAL)[1]. Raffinose (Melitose), a non-digestible short-chain?oligosaccharide, is a trisaccharide composed of galactose, glucose, and fructose and can be found in many plants. Raffinose (Melitose) can be hydrolyzed to D-galactose and sucrose by the enzyme α-galactosidase (α-GAL)[1].
Melezitose
Origin: Plant; Formula(Parent): C18H32O16; Bottle Name:D-(+)-Melezitose monohydrate / D-(+)-Melezitose hydrate; PRIME Parent Name:D-Melezitose; PRIME in-house No.:?V0068 S0210, Polysaccharides (?V0068: D-Melezitose, ?S0210: D-Melezitose) D-(+)-Melezitose can be used to identify clinical isolates of indole-positive and indole-negative Klebsiella spp.
1-Kestose
1-Kestose is a fructooligosaccharide. An oligosaccharide is a saccharide polymer containing a small number (typically three to six) of component sugars, also known as simple sugars. They are generally found either O- or N-linked to compatible amino acid side chains in proteins or to lipid moieties. [HMDB]. 1(F)-beta-Fructosyl-sucrose is found in garden onion. 1-Kestose, the smallest fructooligosaccharide component, which efficiently stimulates Faecalibacterium prausnitzii as well as Bifidobacteria. 1-Kestose, the smallest fructooligosaccharide component, which efficiently stimulates Faecalibacterium prausnitzii as well as Bifidobacteria.
Ala Asp His Tyr
Ala Asp Asn Trp
Ala Asp Trp Asn
Ala Asp Tyr His
Ala His Asp Tyr
Ala His Tyr Asp
Ala Asn Asp Trp
Ala Asn Trp Asp
Ala Trp Asp Asn
Ala Trp Asn Asp
Ala Tyr Asp His
Ala Tyr His Asp
Asp Ala His Tyr
Asp Ala Asn Trp
Asp Ala Trp Asn
Asp Ala Tyr His
Asp Asp Gln Gln
C18H28N6O11 (504.18159779999996)
Asp Glu Asn Gln
C18H28N6O11 (504.18159779999996)
Asp Glu Gln Asn
C18H28N6O11 (504.18159779999996)
Asp Phe His Ser
Asp Phe Ser His
Asp Gly Gln Trp
Asp Gly Trp Gln
Asp His Ala Tyr
Asp His Phe Ser
Asp His Ser Phe
Asp His Tyr Ala
Asp Asn Ala Trp
Asp Asn Glu Gln
C18H28N6O11 (504.18159779999996)
Asp Asn Gln Glu
C18H28N6O11 (504.18159779999996)
Asp Asn Trp Ala
Asp Gln Asp Gln
C18H28N6O11 (504.18159779999996)
Asp Gln Glu Asn
C18H28N6O11 (504.18159779999996)
Asp Gln Gly Trp
Asp Gln Asn Glu
C18H28N6O11 (504.18159779999996)
Asp Gln Gln Asp
C18H28N6O11 (504.18159779999996)
Asp Gln Trp Gly
Asp Ser Phe His
Asp Ser His Phe
Asp Trp Ala Asn
Asp Trp Gly Gln
Asp Trp Asn Ala
Asp Trp Gln Gly
Asp Tyr Ala His
Asp Tyr His Ala
Glu Asp Asn Gln
C18H28N6O11 (504.18159779999996)
Glu Asp Gln Asn
C18H28N6O11 (504.18159779999996)
Glu Glu Met Pro
C20H32N4O9S (504.18899020000003)
Glu Glu Asn Asn
C18H28N6O11 (504.18159779999996)
Glu Glu Pro Met
C20H32N4O9S (504.18899020000003)
Glu Gly His Tyr
Glu Gly Asn Trp
Glu Gly Trp Asn
Glu Gly Tyr His
Glu His Gly Tyr
Glu His Tyr Gly
Glu Met Glu Pro
C20H32N4O9S (504.18899020000003)
Glu Met Pro Glu
C20H32N4O9S (504.18899020000003)
Glu Asn Asp Gln
C18H28N6O11 (504.18159779999996)
Glu Asn Glu Asn
C18H28N6O11 (504.18159779999996)
Glu Asn Gly Trp
Glu Asn Asn Glu
C18H28N6O11 (504.18159779999996)
Glu Asn Gln Asp
C18H28N6O11 (504.18159779999996)
Glu Asn Trp Gly
Glu Pro Glu Met
C20H32N4O9S (504.18899020000003)
Glu Pro Met Glu
C20H32N4O9S (504.18899020000003)
Glu Gln Asp Asn
C18H28N6O11 (504.18159779999996)
Glu Gln Asn Asp
C18H28N6O11 (504.18159779999996)
Glu Trp Gly Asn
Glu Trp Asn Gly
Glu Tyr Gly His
Glu Tyr His Gly
Phe Asp His Ser
Phe Asp Ser His
Phe His Asp Ser
Phe His Ser Asp
Phe Ser Asp His
Phe Ser His Asp
Gly Asp Gln Trp
Gly Asp Trp Gln
Gly Glu His Tyr
Gly Glu Asn Trp
Gly Glu Trp Asn
Gly Glu Tyr His
Gly His Glu Tyr
Gly His Tyr Glu
Gly Asn Glu Trp
Gly Asn Trp Glu
Gly Gln Asp Trp
Gly Gln Trp Asp
Gly Trp Asp Gln
Gly Trp Glu Asn
Gly Trp Asn Glu
Gly Trp Gln Asp
Gly Tyr Glu His
Gly Tyr His Glu
His Ala Asp Tyr
His Ala Tyr Asp
His Asp Ala Tyr
His Asp Phe Ser
His Asp Ser Phe
His Asp Tyr Ala
His Glu Gly Tyr
His Glu Tyr Gly
His Phe Asp Ser
His Phe Ser Asp
His Gly Glu Tyr
His Gly Tyr Glu
His Met Met Ser
C19H32N6O6S2 (504.18246519999997)
His Met Ser Met
C19H32N6O6S2 (504.18246519999997)
His Ser Asp Phe
His Ser Phe Asp
His Ser Met Met
C19H32N6O6S2 (504.18246519999997)
His Tyr Ala Asp
His Tyr Asp Ala
His Tyr Glu Gly
His Tyr Gly Glu
Met Glu Glu Pro
C20H32N4O9S (504.18899020000003)
Met Glu Pro Glu
C20H32N4O9S (504.18899020000003)
Met His Met Ser
C19H32N6O6S2 (504.18246519999997)
Met His Ser Met
C19H32N6O6S2 (504.18246519999997)
Met Met His Ser
C19H32N6O6S2 (504.18246519999997)
Met Met Ser His
C19H32N6O6S2 (504.18246519999997)
Met Pro Glu Glu
C20H32N4O9S (504.18899020000003)
Met Ser His Met
C19H32N6O6S2 (504.18246519999997)
Met Ser Met His
C19H32N6O6S2 (504.18246519999997)
Asn Ala Asp Trp
Asn Ala Trp Asp
Asn Asp Ala Trp
Asn Asp Glu Gln
C18H28N6O11 (504.18159779999996)
Asn Asp Gln Glu
C18H28N6O11 (504.18159779999996)
Asn Asp Trp Ala
Asn Glu Asp Gln
C18H28N6O11 (504.18159779999996)
Asn Glu Glu Asn
C18H28N6O11 (504.18159779999996)
Asn Glu Gly Trp
Asn Glu Asn Glu
C18H28N6O11 (504.18159779999996)
Asn Glu Gln Asp
C18H28N6O11 (504.18159779999996)
Asn Glu Trp Gly
Asn Gly Glu Trp
Asn Gly Trp Glu
Asn Asn Glu Glu
C18H28N6O11 (504.18159779999996)
Asn Gln Asp Glu
C18H28N6O11 (504.18159779999996)
Asn Gln Glu Asp
C18H28N6O11 (504.18159779999996)
Asn Trp Ala Asp
Asn Trp Asp Ala
Asn Trp Glu Gly
Asn Trp Gly Glu
Pro Glu Glu Met
C20H32N4O9S (504.18899020000003)
Pro Glu Met Glu
C20H32N4O9S (504.18899020000003)
Pro Met Glu Glu
C20H32N4O9S (504.18899020000003)
Gln Asp Asp Gln
C18H28N6O11 (504.18159779999996)
Gln Asp Glu Asn
C18H28N6O11 (504.18159779999996)
Gln Asp Gly Trp
Gln Asp Asn Glu
C18H28N6O11 (504.18159779999996)
Gln Asp Gln Asp
C18H28N6O11 (504.18159779999996)
Gln Asp Trp Gly
Gln Glu Asp Asn
C18H28N6O11 (504.18159779999996)
Gln Glu Asn Asp
C18H28N6O11 (504.18159779999996)
Gln Gly Asp Trp
Gln Gly Trp Asp
Gln Asn Asp Glu
C18H28N6O11 (504.18159779999996)
Gln Asn Glu Asp
C18H28N6O11 (504.18159779999996)
Gln Gln Asp Asp
C18H28N6O11 (504.18159779999996)
Gln Trp Asp Gly
Gln Trp Gly Asp
Ser Asp Phe His
Ser Asp His Phe
Ser Phe Asp His
Ser Phe His Asp
Ser His Asp Phe
Ser His Phe Asp
Ser His Met Met
C19H32N6O6S2 (504.18246519999997)
Ser Met His Met
C19H32N6O6S2 (504.18246519999997)
Ser Met Met His
C19H32N6O6S2 (504.18246519999997)
Trp Ala Asp Asn
Trp Ala Asn Asp
Trp Asp Ala Asn
Trp Asp Gly Gln
Trp Asp Asn Ala
Trp Asp Gln Gly
Trp Glu Gly Asn
Trp Glu Asn Gly
Trp Gly Asp Gln
Trp Gly Glu Asn
Trp Gly Asn Glu
Trp Gly Gln Asp
Trp Asn Ala Asp
Trp Asn Asp Ala
Trp Asn Glu Gly
Trp Asn Gly Glu
Trp Gln Asp Gly
Trp Gln Gly Asp
Tyr Ala Asp His
Tyr Ala His Asp
Tyr Asp Ala His
Tyr Asp His Ala
Tyr Glu Gly His
Tyr Glu His Gly
Tyr Gly Glu His
Tyr Gly His Glu
Tyr His Ala Asp
Tyr His Asp Ala
Tyr His Glu Gly
Tyr His Gly Glu
Gentiotriose
(Gal)3
carob galactomannan
Erlose
Myricatomentoside I
Kestose
Gentianose
Occurs in roots of Gentiana lutea (yellow gentian). Gentianose is found in alcoholic beverages, herbs and spices, and root vegetables. Gentianose is a predominant carbohydrate reserve found in the storage roots of perennial Gentiana lutea[1]. Gentianose is a predominant carbohydrate reserve found in the storage roots of perennial Gentiana lutea[1].
Fagopyritol B2
beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose
beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose
beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose
3-b-Gentiobiosylglucose
2-a-Isomaltosylglucose
4-b-Laminaribiosylglucose
Isopanose
3-b-Cellobiosylglucose
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
Fagopyritol A2
Sophorotriose
Nephritogenoside
Berkeleylactone B
N-3-diethylamino)propyl-5,7,12,14-tetrahydro-7,14-dioxo-(Quino-[2,3-b] acridine sulfonamide
C27H28N4O4S (504.18311680000005)
beta-glucan
A glucan molecule is a polysaccharide of D-glucose monomers linked by glycosidic bonds. Many beta-glucans are medically important. beta-Glucan is found in barley.
N,N-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene)]bisacetamide
3,6-di-o-(alpha-d-manno-pyranosyl)-d-manno-pyranose
Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate
7-N,8-N,5-triphenylphenazin-5-ium-2,3,7,8-tetramine,chloride
Tofacitinib Citrate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
beta-D-Fructofuranosyl O-beta-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside
beta-D-Fructofuranosyl O-beta-D-galactopyranosyl-(1-3)-alpha-D-glucopyranoside
beta-D-Fructofuranosyl O-beta-D-galactopyranosyl-(1-2)-alpha-D-glucopyranoside
O-beta-D-Galactopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose
Buclizine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Buclizine dihydrochloride is an orally active antihistamine antiallergic compound. Buclizine dihydrochloride is a potent teratogen in the rat and shows anti-tumor activity[1][2][3].
4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide
C28H28N2O5S (504.17188380000005)
(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
5-chloro-2-propyl-3-[2-(1H-tetrazol-5-ylmethyl)-[1,1,4,1]terphenyl-4-yl]-3H-imidazo[4,5-b]pyridine
C29H23ClN7- (504.17033680000003)
(E)-3-(4-chlorophenyl)-N-[3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]prop-2-enamide
C29H29ClN2O4 (504.18157440000004)
interiotherin A
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity.
Ala-Trp-Asn-Asp
A tetrapeptide composed of L-alanine, L-tryptophan, L-asparagine, and L-aspartic acid joined in sequence by peptide linkages.
(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
C28H28N2O5S (504.17188380000005)
[(3aS,4S,9bS)-8-[2-(3-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C28H28N2O5S (504.17188380000005)
4-O-(3-O-D-Galactopyranosyl-beta-D-galactopyranosyl)-D-glucopyranose
alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranosyl-(1->2)-D-gluco-hexopyranose
D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranose
(1->3)-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucan
4-O-(6-O-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-beta-D-glucopyranose
D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose
Chlorhexidine
C22H30Cl2N10 (504.20318399999996)
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D - Dermatologicals > D09 - Medicated dressings > D09A - Medicated dressings > D09AA - Medicated dressings with antiinfectives S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides D003358 - Cosmetics > D009067 - Mouthwashes D001697 - Biomedical and Dental Materials D000890 - Anti-Infective Agents D004202 - Disinfectants