Exact Mass: 504.1866
Exact Mass Matches: 504.1866
Found 500 metabolites which its exact mass value is equals to given mass value 504.1866
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chlorhexidine
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.
Dextran
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05A - Blood and related products > B05AA - Blood substitutes and plasma protein fractions D006401 - Hematologic Agents > D001802 - Blood Substitutes > D010952 - Plasma Substitutes D006401 - Hematologic Agents > D000925 - Anticoagulants > D003911 - Dextrans Manninotriose is a novel and important player in the RFO(Raffinose family oligosaccharides) metabolism of red dead deadnettle; potential to improve the side effects of MTX for ALL treatment. Manninotriose is a novel and important player in the RFO(Raffinose family oligosaccharides) metabolism of red dead deadnettle; potential to improve the side effects of MTX for ALL treatment.
O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose
Clocinnamox
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
Raffinose
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 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].
Manninotriose
Manninotriose is a trisaccharide. Manninotriose is a natural product found in Rehmannia glutinosa with data available. Manninotriose is a novel and important player in the RFO(Raffinose family oligosaccharides) metabolism of red dead deadnettle; potential to improve the side effects of MTX for ALL treatment. Manninotriose is a novel and important player in the RFO(Raffinose family oligosaccharides) metabolism of red dead deadnettle; potential to improve the side effects of MTX for ALL treatment.
Hiyodarilactone F
InteriotherinA
InteriotherinA is a natural product found in Schisandra sphenanthera with data available.
3,6-Di-O-(alpha-D-mannopyranosyl)-D-mannopyrannose
O-D-Galaktopyranosyl-(1->6)-O-D-galaktopyranosyl-(1->3)-D-galaktose
2alpha-Nigerosyl-glucose|O-alpha-D-glucopyranosyl-(1<*>3)-O-alpha-D-glucopyranosyl-(1<*>2)-D-glucopyranose|O-alpha-D-glucopyranosyl-(1[*]3)-O-alpha-D-glucopyranosyl-(1[*]2)-D-glucopyranose
D-Panose
Production by transferase action on cellobiose of b-glucosides of barley (Hordeum vulgare). Claimed use as low-calorie flavouring agent in food, beverages, medicines. Promotes growth of beneficial intestinal flora. 4-beta-Gentiobiosylglucose is found in barley and cereals and cereal products.
beta-D-fructopyranosyl-(2->6)-beta-D-glucopyranosyl-(1->3)-D-glucopyranose
6-O-(beta-D-glucopyranosyl)-(1?6)-alpha,alpha-D-trehalose|O-beta-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1<->1)-alpha-D-glucopyranoside|O-beta-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
3-O-beta-cellobiosyl-D-glucose|O3-(O4-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-D-glucose
beta-fructopyranosyl-(2->6)-[beta-D-glucopyranosyl-(1->3)]-D-glucopyranose
alpha-galactosyl sucrose|Glc-alpha(1->2)beta-Fru-alpha(1->1)-Gal
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
Neokestose
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].
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
Asp Glu Asn Gln
Asp Glu Gln Asn
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
Asp Asn Gln Glu
Asp Asn Trp Ala
Asp Gln Asp Gln
Asp Gln Glu Asn
Asp Gln Gly Trp
Asp Gln Asn Glu
Asp Gln Gln Asp
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
Glu Asp Gln Asn
Glu Glu Met Pro
Glu Glu Asn Asn
Glu Glu Pro Met
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
Glu Met Pro Glu
Glu Asn Asp Gln
Glu Asn Glu Asn
Glu Asn Gly Trp
Glu Asn Asn Glu
Glu Asn Gln Asp
Glu Asn Trp Gly
Glu Pro Glu Met
Glu Pro Met Glu
Glu Gln Asp Asn
Glu Gln Asn Asp
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
His Met Ser Met
His Ser Asp Phe
His Ser Phe Asp
His Ser Met Met
His Tyr Ala Asp
His Tyr Asp Ala
His Tyr Glu Gly
His Tyr Gly Glu
Met Glu Glu Pro
Met Glu Pro Glu
Met His Met Ser
Met His Ser Met
Met Met His Ser
Met Met Ser His
Met Pro Glu Glu
Met Ser His Met
Met Ser Met His
Asn Ala Asp Trp
Asn Ala Trp Asp
Asn Asp Ala Trp
Asn Asp Glu Gln
Asn Asp Gln Glu
Asn Asp Trp Ala
Asn Glu Asp Gln
Asn Glu Glu Asn
Asn Glu Gly Trp
Asn Glu Asn Glu
Asn Glu Gln Asp
Asn Glu Trp Gly
Asn Gly Glu Trp
Asn Gly Trp Glu
Asn Asn Glu Glu
Asn Gln Asp Glu
Asn Gln Glu Asp
Asn Trp Ala Asp
Asn Trp Asp Ala
Asn Trp Glu Gly
Asn Trp Gly Glu
Pro Glu Glu Met
Pro Glu Met Glu
Pro Met Glu Glu
Gln Asp Asp Gln
Gln Asp Glu Asn
Gln Asp Gly Trp
Gln Asp Asn Glu
Gln Asp Gln Asp
Gln Asp Trp Gly
Gln Glu Asp Asn
Gln Glu Asn Asp
Gln Gly Asp Trp
Gln Gly Trp Asp
Gln Asn Asp Glu
Gln Asn Glu Asp
Gln Gln Asp Asp
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
Ser Met His Met
Ser Met Met His
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
Myricatomentoside I
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
Berkeleylactone B
N-3-diethylamino)propyl-5,7,12,14-tetrahydro-7,14-dioxo-(Quino-[2,3-b] acridine sulfonamide
N,N-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene)]bisacetamide
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
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
5-chloro-2-propyl-3-[2-(1H-tetrazol-5-ylmethyl)-[1,1,4,1]terphenyl-4-yl]-3H-imidazo[4,5-b]pyridine
(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
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
[(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
alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranosyl-(1->2)-D-gluco-hexopyranose
4-O-(6-O-D-Galactopyranosyl-beta-D-galactopyranosyl)-D-glucopyranose
alpha-D-gluco-hexopyranosyl-(1->6)-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
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
2-(hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
2-[11'-(acetyloxy)-7'-[(acetyloxy)methyl]-12'-methyl-8'-oxo-10'-oxaspiro[oxirane-2,6'-tricyclo[7.2.1.0²,⁷]dodecan]-1'-yl]-1-(furan-3-yl)ethyl acetate
(1s,2s,3r,8s,9z,11z,13s,14r,15s,17r,19s)-13,15-bis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadeca-9,11-dien-2-yl acetate
2-(acetyloxy)-5-(furan-3-yl)-3',13'-dimethyl-12',14',15',17'-tetraoxaspiro[oxolane-3,4'-pentacyclo[7.5.2.1⁹,¹³.0¹,¹⁰.0⁵,¹⁰]heptadecan]-8'-yl acetate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[(1e)-prop-1-en-1-yl]-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-3,4,5-triol
(6-{[3-(hepta-1,3,5-trien-1-yl)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2-benzopyran-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate
(1s,2s,3r,5r,8s,9z,11z,13s,14r,15s,17r,19s)-13,15-bis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadeca-9,11-dien-2-yl acetate
2-methyl-6-({6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenazin-1-yl}oxy)oxane-3,4,5-triol
2',2''-bis(acetyloxy)-5''-(furan-3-yl)-6'-methyl-8'-oxo-hexahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s)-3-[(1e,3e,5e)-hepta-1,3,5-trien-1-yl]-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2-benzopyran-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2-(2-methylbutyryl)phloroglucinol 1-o-(6''-o-β-d-apiofuranosyl)- β-d-glucopyranoside
{"Ingredient_id": "HBIN003740","Ingredient_name": "2-(2-methylbutyryl)phloroglucinol 1-o-(6''-o-\u03b2-d-apiofuranosyl)- \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C22H32O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)butane-1,4-diol diacetate
{"Ingredient_id": "HBIN006700","Ingredient_name": "(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)butane-1,4-diol diacetate","Alias": "NA","Ingredient_formula": "C26H32O10","Ingredient_Smile": "CC(=O)OCC(CC1=CC2=C(C(=C1)OC)OCO2)C(CC3=CC(=C(C(=C3)OC)O)OC)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14002","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4- hexyl alcohol acetate
{"Ingredient_id": "HBIN010418","Ingredient_name": "4- hexyl alcohol acetate","Alias": "NA","Ingredient_formula": "C22H30Cl2N10","Ingredient_Smile": "C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37674","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-[3''-(β-d-glucopyranosyloxy)propyl]-7-me-187thoxy-2-(3',4'-dimethoxyphenyl)benzofuran
{"Ingredient_id": "HBIN011005","Ingredient_name": "5-[3''-(\u03b2-d-glucopyranosyloxy)propyl]-7-me-187thoxy-2-(3',4'-dimethoxyphenyl)benzofuran","Alias": "NA","Ingredient_formula": "C26H32O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7-dihydroxy-8-methoxy-2-methyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN011300","Ingredient_name": "5,7-dihydroxy-8-methoxy-2-methyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C29H28O8","Ingredient_Smile": "CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)C(C)C)OC)O)C3=C(C4=CC(=O)C(=O)C(=C4C(=C3C)O)C(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33551","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzoyl oxokadsurane
{"Ingredient_id": "HBIN017825","Ingredient_name": "benzoyl oxokadsurane","Alias": "NA","Ingredient_formula": "C29H28O8","Ingredient_Smile": "CC1CC2=CC(=C(C(=O)C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C6=CC=CC=C6)OC)OC","Ingredient_weight": "504.5 g/mol","OB_score": "33.58690609","CAS_id": "NA","SymMap_id": "SMIT11600","TCMID_id": "NA","TCMSP_id": "MOL010573","TCM_ID_id": "NA","PubChem_id": "49770141","DrugBank_id": "NA"}