Exact Mass: 556.1679416

4-O-(3-O-methyl-beta-D-glucopyranosyl)-diphyllin

Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate

(2R,3R) -3- (Benzoyloxy) -2- (3,4-dihydroxyphenyl) -3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside

(-)-1,2-bis((2s,5s)-2,5-dimethylphospholano)ethane(cyclooctadiene)rhodium (i) tetrafluoroborate

C22H40BF4P2Rh (556.1689308)

(1Z,5Z)-cycloocta-1,5-diene,(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane,rhodium,tetrafluoroborate

C22H40BF4P2Rh- (556.1689308)

2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C20H28N8O9S (556.1699878000001)

Bedaquiline(2+)

C32H33BrN2O2+2 (556.1725258)

(2S)-2-amino-5-[[(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Epicatechin 5-O-beta-D-glucoside-3-benzoate

2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate

9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(5r,6s)-6-{[(2s,3r,4s,5s,6r)-3-{[1,1'-biphenyl]-3,3',5-triyloxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one

(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate

2,12-bis(acetyloxy)-8-chloro-3,18-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate

(2s,3s)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate

1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl-1',3'-dihydro-10h-[2,9'-bianthracene]-4',9-dione

4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4→5')-2',7-dihydroxy-4'-methoxyisoflavan

{"Ingredient_id": "HBIN013235","Ingredient_name": "7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4\u21925')-2',7-dihydroxy-4'-methoxyisoflavan","Alias": "NA","Ingredient_formula": "C32H28O9","Ingredient_Smile": "NA","Ingredient_weight": "556.56","OB_score": "NA","CAS_id": "100478-03-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7453","PubChem_id": "NA","DrugBank_id": "NA"}

amaronitidin

{"Ingredient_id": "HBIN015819","Ingredient_name": "amaronitidin","Alias": "NA","Ingredient_formula": "C28H28O12","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)OC4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O","Ingredient_weight": "556.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1019","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101720810","DrugBank_id": "NA"}

19-ethyl-19-hydroxy-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

19-ethyl-19-hydroxy-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C27H28N2O11 (556.1693018)

9-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-10-hydroxy-5,7-dimethoxy-2-methylanthracene-1,4-dione

9-(2h-1,3-benzodioxol-5-yl)-4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one

3,10,14,16,21-pentahydroxy-17-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione

10-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-9-hydroxy-6,8-dimethoxy-3-methylanthracene-1,2-dione

2-[(3r,4s)-7-hydroxy-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione

(1r,2s,3r,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate

(1r,2s,3r,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate

(19s)-19-ethyl-19-hydroxy-8-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

(19s)-19-ethyl-19-hydroxy-8-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C27H28N2O11 (556.1693018)

2',7'-bis(acetyloxy)-13'-chloro-11'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-9'-yl acetate

2',7'-bis(acetyloxy)-13'-chloro-9'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate

(1'r,2r,2's,3's,7's,8's,9'r,10's,11'r,13's,14'r,17'r)-2',7'-bis(acetyloxy)-13'-chloro-9'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

(1'r,2r,2's,3's,7's,8's,9'r,10's,11'r,13's,14'r,17'r)-2',7'-bis(acetyloxy)-13'-chloro-9'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

3,10,14,16,21-pentahydroxy-6-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione

3-(4-hydroxyphenyl)-3-{6-[(1z)-2-(4-hydroxyphenyl)ethenyl]-2-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-3-yl}propanoic acid

(1r,2r,3r,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate

(1r,2r,3r,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2,12-bis(acetyloxy)-8-chloro-3,18-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2,12-bis(acetyloxy)-8-chloro-3,18-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate

(1'r,2r,2's,3's,7's,8'r,9's,11's,13's,14'r,17'r)-2',7'-bis(acetyloxy)-13'-chloro-11'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-9'-yl acetate

(1'r,2r,2's,3's,7's,8'r,9's,11's,13's,14'r,17'r)-2',7'-bis(acetyloxy)-13'-chloro-11'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-9'-yl acetate