Exact Mass: 534.2101014
Exact Mass Matches: 534.2101014
Found 220 metabolites which its exact mass value is equals to given mass value 534.2101014,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(-)-Arctiin
Natural compounds from herbs are recognized as an important source of therapeutic agents. Seeking for natural products with high selectivity and less side effects merits considerable efforts. Arctium lappa, also known as burdock, is widely consumed in East Asia, Europe and America to promote well-being for hundreds of years. In Chinese traditional medicine, Arctium lappa (mainly roots, and, to a less extend, seeds and leaves) is an important herbal medicinal preparation. It is commonly used for alleviating symptoms of inflammatory disorders, such as anemopyretic cold, cough, measles, urticaria and furuncle (Shin et al., 2015; Zhao et al., 2009). In addition, Arctium lappa is applied to treat various skin disorders including eczema and acne (Chan et al., 2011; Miglani and Manchanda, 2014). Lignans are the most characteristic phytoconstituents of Arctium lappa. Among them, ATG (Formula:C21H24O6; PubChem CID:64,981) and its glycoside, arctiin are the major bioactive compounds (Fig. 1). ATG, rich in roots and seeds of Arctium lappa, has attracted a great deal of attention due to its prominent therapeutic potential. It possesses many biological activities such as anti-oxidative stress (Lü et al., 2016), anti-cancer (He et al., 2018; Shabgah et al., 2021), anti-virus (Gao et al., 2018a) and anti-inflammation (Hyam et al., 2013; Zhao et al., 2009). Significant curative effects of ATG have been demonstrated on a wide range of human diseases including cancers, autoimmune disorders, chronic diseases, viral infections and other health concerns. The bioactivity of ATG largely depend on its chemical structure. For instance, the chiral carbon atom in the lactone ring is essential for the anti-tumor effect of ATG as (–)-arctigenin exhibits greater tumor suppression effect than (+)-arctigenin (Awale et al., 2014). Furthermore, the dibenzyl butyrolactone is key for the interactions between ATG and proteins. (-)-arctiin is a member of the class of compounds known as lignan glycosides. Lignan glycosides are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones (-)-arctiin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-arctiin can be found in burdock, which makes (-)-arctiin a potential biomarker for the consumption of this food product. Arctiin is a glycoside and a lignan. Arctiin is a natural product found in Abeliophyllum distichum, Forsythia suspensa, and other organisms with data available. Arctiin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=20362-31-6 (retrieved 2024-06-28) (CAS RN: 20362-31-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity. Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity.
Phillyrin
Forsythin is a lignan and a glycoside. Phillyrin is a natural product found in Forsythia suspensa, Phillyrea latifolia, and other organisms with data available. Annotation level-1 2-[4-[3-(3,4-Dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Pteris semipinnata with data available. Phillyrin is isolated from Forsythia suspensa Vahl (Oleaceae), has antibacterial and anti-inflammatory activities. Phillyrin has potential inductive effects on rat CYP1A2 and CYP2D1 activities, without affecting CYP2C11 and CYP3A1/2 activities[1]. Phillyrin has anti-influenza A virus activities[2]. Phillyrin is isolated from Forsythia suspensa Vahl (Oleaceae), has antibacterial and anti-inflammatory activities. Phillyrin has potential inductive effects on rat CYP1A2 and CYP2D1 activities, without affecting CYP2C11 and CYP3A1/2 activities[1]. Phillyrin has anti-influenza A virus activities[2].
N-Demethyl-desepoxymaytansinol
C27H35ClN2O7 (534.2132670000001)
Myricatomentoside II
Myricatomentoside II is found in brassicas. Myricatomentoside II is a constituent of Myrica gale var. tomentosa
6-Carboxy-X-rhodamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
Arctiin
piperaquine
Rimegepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Styraxlignolide F
Styraxlignolide F is a natural product found in Styrax japonicus with data available. Styraxlignolide F is a natural compoundisolated from Styrax japonica. Styraxlignolide F is a natural compoundisolated from Styrax japonica.
Styraxlignolide
Styraxlignolide F is a natural product found in Styrax japonicus with data available. Styraxlignolide F is a natural compoundisolated from Styrax japonica. Styraxlignolide F is a natural compoundisolated from Styrax japonica.
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
(+)-Pinoresinol monomethyl ether O-beta-D-glucopyranoside
Aerucyclamide A
CONFIDENCE standard compound; UCHEM_ID 4363; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)
3,4,l-O-3,4-Dimethoxy-phenylethyl-6-O-cinnamoyl-??-D-glucopyranose
(1S,3S,6R,7R,8R,10S)-1(10)-Epoxy-3-hydroxy-8-<5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy>helianga-5,11(13)-dien-6,12-olide|(1S,3S,6R,7R,8R,10S)-1(10)-Epoxy-3-hydroxy-8-[5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy]helianga-5,11(13)-dien-6,12-olide
(3R)-trans-3-(4-beta-D-Glucopyranosyloxy-3-methoxy-benzyl)-4-veratryl-dihydro-furan-2-on|(3R)-trans-3-(4-beta-D-glucopyranosyloxy-3-methoxy-benzyl)-4-veratryl-dihydro-furan-2-one
methyl 1alpha,6,8alpha,14beta,30beta-pentahydroxy-3-oxo-[3.3.110,2.11,4]-tricyclomeliac-7-oate
(5S)-6-O-(3,4-dimethoxy cinnamoyl)-1-O-beta-D-glucopyranosyl-geraniol-10,5-olide|sibiraglycoside A
(- )-(3S)-3-hydroxy-alpha-ericadione 3-O-beta-D-glucopyranoside|1-(p-hydroxyphenyl)-9-(3,4-dihydroxyphenyl)-3-hydroxynonan-5,6-dione 3-O-b-D-glucopyranoside|3-hydroxy-alpha-ericadione 3-glucoside|3-hydroxy-alpha-ericadione 3-O-beta-D-glucoside
Thr Tyr His Asp
Tyr Ser His Glu
Moexipril HCl
C27H35ClN2O7 (534.2132670000001)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Arctiin
Annotation level-1 Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity. Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity.
C27H34O11_beta-D-xylo-Hexopyranoside, 4-[(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl, (4xi)
2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_82.5\\%
2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_minor
Asp His Thr Tyr
Asp His Tyr Thr
Asp Asn Thr Trp
Asp Asn Trp Thr
Asp Gln Ser Trp
Asp Gln Trp Ser
Asp Ser Gln Trp
Asp Ser Trp Gln
Asp Thr His Tyr
Asp Thr Asn Trp
Asp Thr Trp Asn
Asp Thr Tyr His
Asp Trp Asn Thr
Asp Trp Gln Ser
Asp Trp Ser Gln
Asp Trp Thr Asn
Asp Tyr His Thr
Asp Tyr Thr His
Glu His Ser Tyr
Glu His Tyr Ser
Glu Met Gln Gln
C20H34N6O9S (534.2107874000001)
Glu Asn Ser Trp
Glu Asn Trp Ser
Glu Gln Met Gln
C20H34N6O9S (534.2107874000001)
Glu Gln Gln Met
C20H34N6O9S (534.2107874000001)
Glu Ser His Tyr
Glu Ser Asn Trp
Glu Ser Trp Asn
Glu Ser Tyr His
Glu Trp Asn Ser
Glu Trp Ser Asn
Glu Tyr His Ser
Glu Tyr Ser His
His Asp Thr Tyr
His Asp Tyr Thr
His Glu Ser Tyr
His Glu Tyr Ser
His Ser Glu Tyr
His Ser Tyr Glu
His Thr Asp Tyr
His Thr Tyr Asp
His Tyr Asp Thr
His Tyr Glu Ser
His Tyr Ser Glu
His Tyr Thr Asp
Met Glu Gln Gln
C20H34N6O9S (534.2107874000001)
Met Gln Glu Gln
C20H34N6O9S (534.2107874000001)
Met Gln Gln Glu
C20H34N6O9S (534.2107874000001)
Asn Asp Thr Trp
Asn Asp Trp Thr
Asn Glu Ser Trp
Asn Glu Trp Ser
Asn Ser Glu Trp
Asn Ser Trp Glu
Asn Thr Asp Trp
Asn Thr Trp Asp
Asn Trp Asp Thr
Asn Trp Glu Ser
Asn Trp Ser Glu
Asn Trp Thr Asp
Gln Asp Ser Trp
Gln Asp Trp Ser
Gln Glu Met Gln
C20H34N6O9S (534.2107874000001)
Gln Glu Gln Met
C20H34N6O9S (534.2107874000001)
Gln Met Glu Gln
C20H34N6O9S (534.2107874000001)
Gln Met Gln Glu
C20H34N6O9S (534.2107874000001)
Gln Gln Glu Met
C20H34N6O9S (534.2107874000001)
Gln Gln Met Glu
C20H34N6O9S (534.2107874000001)
Gln Ser Asp Trp
Gln Ser Trp Asp
Gln Trp Asp Ser
Gln Trp Ser Asp
Ser Asp Gln Trp
Ser Asp Trp Gln
Ser Glu His Tyr
Ser Glu Asn Trp
Ser Glu Trp Asn
Ser Glu Tyr His
Ser His Glu Tyr
Ser His Tyr Glu
Ser Asn Glu Trp
Ser Asn Trp Glu
Ser Gln Asp Trp
Ser Gln Trp Asp
Ser Trp Asp Gln
Ser Trp Glu Asn
Ser Trp Asn Glu
Ser Trp Gln Asp
Ser Tyr Glu His
Ser Tyr His Glu
Thr Asp His Tyr
Thr Asp Asn Trp
Thr Asp Trp Asn
Thr Asp Tyr His
Thr His Asp Tyr
Thr His Tyr Asp
Thr Asn Asp Trp
Thr Asn Trp Asp
Thr Trp Asp Asn
Thr Trp Asn Asp
Thr Tyr Asp His
Trp Asp Asn Thr
Trp Asp Gln Ser
Trp Asp Ser Gln
Trp Asp Thr Asn
Trp Glu Asn Ser
Trp Glu Ser Asn
Trp Asn Asp Thr
Trp Asn Glu Ser
Trp Asn Ser Glu
Trp Asn Thr Asp
Trp Gln Asp Ser
Trp Gln Ser Asp
Trp Ser Asp Gln
Trp Ser Glu Asn
Trp Ser Asn Glu
Trp Ser Gln Asp
Trp Thr Asp Asn
Trp Thr Asn Asp
Tyr Asp His Thr
Tyr Asp Thr His
Tyr Glu His Ser
Tyr Glu Ser His
Tyr His Asp Thr
Tyr His Glu Ser
Tyr His Ser Glu
Tyr His Thr Asp
Tyr Ser Glu His
Tyr Thr Asp His
Tyr Thr His Asp
Myricatomentoside II
piperaquine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-methyl-5-[2-(4-methylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
C23H34N8O3S2 (534.2195174000001)
5-ROX
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
9-(naphthalen-2-yl)-9-phenyl-9H,9H-3,3-bicarbazole
Rimegepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
6-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-({2-[3-(4-methylpiperazin-1-yl)propoxy]pyrimidin-5-yl}amino)pyrazine-2-carboxamide
1-benzoyl-N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
2-[(2S,4aR,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(2R,4aS,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(2R,4aR,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2R,4aS,12aS)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-isoxazolecarboxamide
C28H30N4O7 (534.2114389999999)
2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(2S,4aR,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
Forsythin
Phillyrin is isolated from Forsythia suspensa Vahl (Oleaceae), has antibacterial and anti-inflammatory activities. Phillyrin has potential inductive effects on rat CYP1A2 and CYP2D1 activities, without affecting CYP2C11 and CYP3A1/2 activities[1]. Phillyrin has anti-influenza A virus activities[2]. Phillyrin is isolated from Forsythia suspensa Vahl (Oleaceae), has antibacterial and anti-inflammatory activities. Phillyrin has potential inductive effects on rat CYP1A2 and CYP2D1 activities, without affecting CYP2C11 and CYP3A1/2 activities[1]. Phillyrin has anti-influenza A virus activities[2].