Exact Mass: 534.2195
Exact Mass Matches: 534.2195
Found 500 metabolites which its exact mass value is equals to given mass value 534.2195
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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].
Sarothralin
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
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
(1S,5R,7S,8S,9S)-10-chloro-5,7-dihydroxy-11-[(R)-alpha-(isovaleroxy)isovaleroxy]-1-isovaleroxy-5,6-dihydrovaltrate chlorohydrin|chlorovaltrate E|jatamandoid A
(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
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
Ala Met Gln Trp
Ala Met Trp Gln
Ala Gln Met Trp
Ala Gln Trp Met
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Ala Trp Gln Met
Cys Glu Gln Arg
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Cys His Ile Tyr
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Cys Gln Arg Glu
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Cys Trp Ile Asn
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Cys Tyr His Ile
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Asp His Tyr Thr
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Asp Met Arg Asn
Asp Asn Met Arg
Asp Asn Arg Met
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Asp Thr His Tyr
Asp Thr Asn Trp
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Asp Trp Gln Ser
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Asp Tyr His Thr
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Glu Cys Gln Arg
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Glu Asn Trp Ser
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Gly Ser Trp Trp
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His Cys Ile Tyr
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Ile Cys His Tyr
Ile Cys Asn Trp
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Ile His Cys Tyr
Ile His Tyr Cys
Ile Asn Cys Trp
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Met Ala Gln Trp
Met Ala Trp Gln
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Met Gln Gln Glu
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Asn Cys Ile Trp
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Asn His His Gln
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Arg Cys Glu Gln
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Arg Met Asn Asp
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Ser Gly Trp Trp
Ser His Tyr Glu
Ser Trp Gly Trp
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Thr Phe His Met
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Val Cys Gln Trp
Val Cys Trp Gln
Val Gln Cys Trp
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Trp Ala Gln Met
Trp Cys Ile Asn
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Trp Ile Cys Asn
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Trp Met Gln Ala
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Trp Gln Ala Met
Trp Gln Cys Val
Trp Gln Asp Ser
Trp Gln Met Ala
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Trp Ser Asp Gln
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Trp Ser Gly Trp
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Trp Thr Asn Asp
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Trp Val Gln Cys
Trp Trp Gly Ser
Trp Trp Ser Gly
Tyr Cys His Ile
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Tyr Asp Thr His
Tyr Glu His Ser
Tyr Glu Ser His
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Tyr His Cys Leu
Tyr His Asp Thr
Tyr His Glu Ser
Tyr His Ile Cys
Tyr His Leu Cys
Tyr His Ser Glu
Tyr His Thr Asp
Tyr Ile Cys His
Tyr Ile His Cys
Tyr Leu Cys His
Tyr Leu His Cys
Tyr Ser Glu His
Tyr Thr Asp His
Tyr Thr His Asp
Myricatomentoside II
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
5-ROX
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
9-(naphthalen-2-yl)-9-phenyl-9H,9H-3,3-bicarbazole
nickel(2+),2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,4,5,10,11,14,15,20,21,23-decahydroporphyrin-22,24-diide
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
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
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
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].
(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
(4r,11s,14s,17s)-4-[(2s)-butan-2-yl]-14-[(1r)-1-hydroxyethyl]-17-isopropyl-11-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
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
7-methyl-4,18-bis(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),14,16,19(22)-heptaene-2,9,16-triol
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
22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),10,12,14(37),16,18,25,27,32,35-dodecaene-13,27-diol
4,16-dihydroxy-3,5,14,15-tetramethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl 3-phenylprop-2-enoate
14-hydroxy-5-(hydroxymethyl)-6,6,21,21-tetramethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,15,19,22(30),24,26,28-decaene-2,17-dione
(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"}