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1,6-bis-O-galloyl-beta-D-glucose

PropertiesImage
MNX_IDMNXM3418 Image of MNXM3418
referencechebi:15723
formulaC20H20O14
global charge0
mol weight484.366
InChIKeyLYGRISUQIZNHGM-IVABAYMNSA-N
InChIInChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1
SMILESO=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1 Image of MNXM3418
SMILES (mnx)[CH:1]1=[C:6]([C:18](=[O:30])[O:32][CH2:5][C@@H:12]2[C@@H:15]([OH:27])[C@H:16]([OH:28])[C@@H:17]([OH:29])[C@H:20]([O:34][C:19]([C:7]3=[CH:3][C:10]([OH:23])=[C:14]([OH:26])[C:11]([OH:24])=[CH:4]3)=[O:31])[O:33]2)[CH:2]=[C:9]([OH:22])[C:13]([OH:25])=[C:8]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15723
chebi:15723
LYGRISUQIZNHGM-IVABAYMNSA-N 		1,6-bis-O-galloyl-beta-D-glucose
1,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
1-O,6-O-Digalloyl-beta-D-glucose
1-O,6-O-digalloyl-beta-D-glucose
hmdb:HMDB0302910
LYGRISUQIZNHGM-IVABAYMNSA-N 		1,6-di-O-Galloylglucose
1,6-Bis-O-galloyl-b-D-glucose
1,6-Bis-O-galloyl-beta-D-glucose
1,6-Di-O-galloyl-beta-D-glucose
1,6-bis-O-galloyl-beta-D-glucose
1-O,6-O-Digalloyl-b-D-glucose
1-O,6-O-Digalloyl-beta-D-glucose
DGG16 CPD
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

kegg.compound:C04101
keggC:C04101
LYGRISUQIZNHGM-IVABAYMNSA-N 		1-O,6-O-Digalloyl-beta-D-glucose

seed.compound:cpd02532
seedM:cpd02532
LYGRISUQIZNHGM-IVABAYMNSA-N 		1-O,6-O-Digalloyl-beta-D-glucose
1-O,6-O-digalloyl-beta-D-glucose
3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester

metacyc.compound:1-O6-O-DIGALLOYL-BETA-D-GLUCOSE
metacycM:1-O6-O-DIGALLOYL-BETA-D-GLUCOSE
LYGRISUQIZNHGM-IVABAYMNSA-N 		1-O,6-O-digalloyl-beta-D-glucose
3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester

chebi:11211
chebi:18977
chebi:650
keggC:M_C04101
seedM:M_cpd02532 		secondary/obsolete/fantasy identifier