Exact Mass: 504.1797
Exact Mass Matches: 504.1797
Found 145 metabolites which its exact mass value is equals to given mass value 504.1797,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one
(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
3-(4-chlorophenyl)-N-[4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-17-yl]prop-2-enamide
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
4-Cyano-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzene-1-sulphonamide
InteriotherinA
(3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate
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
1-O-isopropyl-[5-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-apiofuranosyl]-(1?2)-beta-D-glucopyranoside|clausenoside B
2-methyl-L-erythritol-4-O-(6-O-trans-sinapoyl)-beta-D-glucopyranoside
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
2-methyl-L-erythritol-1-O-(6-O-trans-sinapoyl)-beta-D-glucopyranoside
Sinapyl 9-O-[??-D-apiofuranosyl(1鈥樏傗垎6)]-O-??-D-glucopyranoside
Sinapyl 9-O-[??-D-apiofuranosyl(1鈥樏傗垎6)]-O-??-D-glucopyranoside
Asp Asp Gln Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid
Asp Glu Asn Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid
Asp Glu Gln Asn
(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Asp Asn Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
Asp Asn Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]pentanedioic acid
Asp Gln Asp Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Asp Gln Glu Asn
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Asp Gln Asn Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]pentanedioic acid
Asp Gln Gln Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]butanedioic acid
Glu Asp Asn Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid
Glu Asp Gln Asn
(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
Glu Glu Met Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid
Glu Glu Asn Asn
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Glu Pro Met
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-5-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Glu Met Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Glu Met Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
Glu Asn Asp Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Glu Asn Glu Asn
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Glu Asn Asn Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]pentanedioic acid
Glu Asn Gln Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]butanedioic acid
Glu Pro Glu Met
(4S)-4-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Pro Met Glu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]pentanedioic acid
Glu Gln Asp Asn
(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Glu Gln Asn Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]butanedioic acid
His Met Met Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid
His Met Ser Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid
His Ser Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Met Glu Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Met Glu Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
Met His Met Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid
Met His Ser Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid
Met Met His Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid
Met Met Ser His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Met Pro Glu Glu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]pentanedioic acid
Met Ser His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
Met Ser Met His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid
Asn Asp Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
Asn Asp Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]pentanedioic acid
Asn Glu Asp Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Asn Glu Glu Asn
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Asn Glu Asn Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]pentanedioic acid
Asn Glu Gln Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]butanedioic acid
Asn Asn Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]pentanedioic acid
Asn Gln Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]pentanedioic acid
Asn Gln Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]butanedioic acid
Pro Glu Glu Met
(4S)-4-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid
Pro Glu Met Glu
(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Pro Met Glu Glu
(2S)-2-[(2S)-4-carboxy-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]pentanedioic acid
Gln Asp Asp Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Gln Asp Glu Asn
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Gln Asp Asn Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]pentanedioic acid
Gln Asp Gln Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]butanedioic acid
Gln Glu Asp Asn
(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
Gln Glu Asn Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]butanedioic acid
Gln Asn Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]pentanedioic acid
Gln Asn Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]butanedioic acid
Gln Gln Asp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]butanedioic acid
Ser His Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Ser Met His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
Ser Met Met His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one
N-3-diethylamino)propyl-5,7,12,14-tetrahydro-7,14-dioxo-(Quino-[2,3-b] acridine sulfonamide
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
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
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
7-N,8-N,5-triphenylphenazin-5-ium-2,3,7,8-tetramine,chloride
Buclizine hydrochloride
Buclizine dihydrochloride
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
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
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
(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
interiotherin A
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity.
(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
(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
[(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
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-(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
(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
(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
2-methyl-6-({6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenazin-1-yl}oxy)oxane-3,4,5-triol
2-methyl-6-({6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenazin-1-yl}oxy)oxane-3,4,5-triol
2-(2-methylbutyryl)phloroglucinol 1-o-(6''-o-β-d-apiofuranosyl)- β-d-glucopyranoside
NA
{"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"}
5,7-dihydroxy-8-methoxy-2-methyl-1,4-naphthoquinone
NA
{"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
NA
{"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"}
4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,5-diol
4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,5-diol
[5-(methoxycarbonyl)-3-{1-[(2-methylbut-2-enoyl)oxy]ethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
[5-(methoxycarbonyl)-3-{1-[(2-methylbut-2-enoyl)oxy]ethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
(1s,12r,13r,14r)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(1s,12r,13r,14r)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(2r,3r,4s,5r,6s)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,5-diol
(2r,3r,4s,5r,6s)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,5-diol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2e)-3-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2e)-3-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
[(2s,3s,4s)-5-(methoxycarbonyl)-3-[(1r)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
[(2s,3s,4s)-5-(methoxycarbonyl)-3-[(1r)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
(1s,12s,13s,14s)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(1s,12s,13s,14s)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acid
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acid
(2r,3r,4s,5r,6s)-4-{[(2s,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,5-diol
(2r,3r,4s,5r,6s)-4-{[(2s,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,5-diol
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,4-diol
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,4-diol
[(3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
[(3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
(1r,12r,13r,14r)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(1r,12r,13r,14r)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
(11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
ethyl (2r)-2-phenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetate
ethyl (2r)-2-phenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetate
2-(hydroxymethyl)-6-{[3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
(11s,12r,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
(11s,12r,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
(2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-{[(2e)-3-(3-methoxy-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
(2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-{[(2e)-3-(3-methoxy-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-methoxy-4-(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
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-methoxy-4-(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
10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acid
10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acid
[(2s,3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
[(2s,3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
(2s,3r,4r,5r,6s)-2-methyl-6-[(6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazin-1-yl)oxy]oxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-methyl-6-[(6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazin-1-yl)oxy]oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(12s,13s,14s)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
(12s,13s,14s)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate
4-[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxy]-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,5-diol
4-[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxy]-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,5-diol
(2s)-1-(2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one
(2s)-1-(2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one
[(2r,3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
[(2r,3s,4s)-5-(methoxycarbonyl)-3-[(1s)-1-{[(2e)-2-methylbut-2-enoyl]oxy}ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]acetic acid
3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate
2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1z)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,4-diol
(2r,3s,4s,5r,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1z)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,4-diol
(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,4-diol
(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}oxane-3,4-diol
(2s,3s,4r,5r,6s)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3s,4r,5r,6s)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
