Chemical Formula: C21H32O12
Chemical Formula C21H32O12
Found 38 metabolite its formula value is C21H32O12
3,4,5-trimethoxyphenol D-apio-beta-D-furanosyl-(1->6)-beta-D-glucopyronoside
3,4,5-trimethoxyphenol D-apio-beta-D-furanosyl-(1->6)-beta-D-glucopyronoside
2-(3-hydroxy-4-methoxyphenyl)ethanol 1-O-[alpha-L-rhamnopiranosyl-(1?2)-beta-D-glucopyranoside]
2-(3-hydroxy-4-methoxyphenyl)ethanol 1-O-[alpha-L-rhamnopiranosyl-(1?2)-beta-D-glucopyranoside]
4-Me ether,3-O-alpha-L-rhamnopyranosyl-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
4-Me ether,3-O-alpha-L-rhamnopyranosyl-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
2-methoxy-4-(1-hydroxyethyl)phenol 1-O-alpha-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2-methoxy-4-(1-hydroxyethyl)phenol 1-O-alpha-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
(-)-4-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy]benzyl ethyl ether
(-)-4-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy]benzyl ethyl ether
C21H32O12_Butanoic acid, 3-methyl-, (1aS,1bS,5S,5aS,6S,6aS)-2-[(beta-D-glucopyranosyloxy)methyl]-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)oxireno[3,4]cyclopenta[1,2-c]pyran-5-yl ester
NCGC00384998-01_C21H32O12_Butanoic acid, 3-methyl-, (1aS,1bS,5S,5aS,6S,6aS)-2-[(beta-D-glucopyranosyloxy)methyl]-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)oxireno[3,4]cyclopenta[1,2-c]pyran-5-yl ester
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_major
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_major
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_53.3\\%
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_53.3\\%
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_49.0\\%
[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate_49.0\\%
(2R,3R,4S,5R,6S)-3-isopropyl-2-methylol-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol; 134515-66-5; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol
{"Ingredient_id": "HBIN006433","Ingredient_name": "(2R,3R,4S,5R,6S)-3-isopropyl-2-methylol-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol","Alias": "(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol; 134515-66-5; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol","Ingredient_formula": "C21H32O12","Ingredient_Smile": "CC(C)C1(C(OC(C(C1O)(O)OC2C(C(C(C(O2)CO)O)O)O)OC3=CC=CC=C3)CO)O","Ingredient_weight": "476.47","OB_score": "3.006463945","CAS_id": "134515-66-5","SymMap_id": "SMIT10107","TCMID_id": "NA","TCMSP_id": "MOL008896","TCM_ID_id": "NA","PubChem_id": "179289","DrugBank_id": "NA"}
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-[4-(ethoxymethyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-[4-(ethoxymethyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-({3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol
2-({3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-3-isopropyl-6-phenoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-3-isopropyl-6-phenoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
2-({2-[4-(ethoxymethyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-({2-[4-(ethoxymethyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-({3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol
2-({3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(3,4-dimethoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol
5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(3,4-dimethoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol
(2r,3s,4s,5r,6s)-2-({[(2s,3r,4s)-3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-({[(2s,3r,4s)-3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(1s,2s,4s,5s,6s,7s)-5-hydroxy-5-(hydroxymethyl)-10-({[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
(1s,2s,4s,5s,6s,7s)-5-hydroxy-5-(hydroxymethyl)-10-({[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
2-({[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
2-({[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3s,4r,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
(2r,3s,4r,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
(1r,2s,4s,5s,6s,7s)-5-hydroxy-5-(hydroxymethyl)-10-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
(1r,2s,4s,5s,6s,7s)-5-hydroxy-5-(hydroxymethyl)-10-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
5-hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
5-hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate
(2s,3r,4s,5s,6r)-2-{4-[(1r)-1-hydroxyethyl]-2-methoxyphenoxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1r)-1-hydroxyethyl]-2-methoxyphenoxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-(3,4-dimethoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol
(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-(3,4-dimethoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol