Exact Mass: 534.2108
Exact Mass Matches: 534.2108
Found 114 metabolites which its exact mass value is equals to given mass value 534.2108,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 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].
Myricatomentoside II
Myricatomentoside II is found in brassicas. Myricatomentoside II is a constituent of Myrica gale var. tomentosa
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
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
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
Glu Met Gln Gln
Glu Gln Met Gln
Glu Gln Gln Met
Met Glu Gln Gln
Met Gln Glu Gln
Met Gln Gln Glu
Gln Glu Met Gln
Gln Glu Gln Met
Gln Met Glu Gln
Gln Met Gln Glu
Gln Gln Glu Met
Gln Gln Met Glu
Myricatomentoside II
6-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-({2-[3-(4-methylpiperazin-1-yl)propoxy]pyrimidin-5-yl}amino)pyrazine-2-carboxamide
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
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].
(4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
2-(3,4-Dimethoxyphenyl)ethyl 4-O-(DI-O-methylcaffeoyl)-1beta-(D)-glucopyranoside
2-(3,4-Dimethoxyphenyl)ethyl 6-O-(DI-O-methylcaffeoyl)-beta-(D)-glucopyranoside
3-[(2r,3r,4ar,6s,7s,8s,8ar)-2-(3,4-dimethoxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dimethoxyphenyl)propan-1-one
2-{[3,4-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-[6-(furan-3-yl)-10,11,12,17-tetrahydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl 2-[(1r,2r,4s,7r,8s,10s,11r,12r,13r,16r)-10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-13-yl]acetate
(2s,3s,4s,5r,6r)-2-{4-[(1s,3ar,4s,6ar)-4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,1-butyl ether,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001641","Ingredient_name": "1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,1-butyl ether,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O11","Ingredient_Smile": "NA","Ingredient_weight": "534.55","OB_score": "NA","CAS_id": "186202-05-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9512","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1s,2s)-form,1-butyl ether,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001645","Ingredient_name": "1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1s,2s)-form,1-butyl ether,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O11","Ingredient_Smile": "NA","Ingredient_weight": "534.55","OB_score": "NA","CAS_id": "186202-09-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9508","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,l-o-3,4-dimethoxy-phenylethyl-6-o-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN007489","Ingredient_name": "3,4,l-o-3,4-dimethoxy-phenylethyl-6-o-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C27H34O11","Ingredient_Smile": "COC1=C(C=C(C=C1)CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)OC)OC)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6283","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxyarctii-4''-o-β-d-xyloside
{"Ingredient_id": "HBIN008818","Ingredient_name": "3-methoxyarctii-4''-o-\u03b2-d-xyloside","Alias": "NA","Ingredient_formula": "C27H34O11","Ingredient_Smile": "COC1=C(C=C(C=C1)CC2(COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(CO4)O)O)O)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13834","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
