CHEBI:479 - 1,2,3,4-tetrakis-O-galloyl-α-D-glucose

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ChEBI Name 1,2,3,4-tetrakis-O-galloyl-α-D-glucose
ChEBI ID CHEBI:479
ChEBI ASCII Name 1,2,3,4-tetrakis-O-galloyl-alpha-D-glucose
Definition A gallate ester that is the tetraester obtained by the formal condensation of hydroxy groups at positions 1, 2, 3 and 4 of α-D-glucose with the carboxy group of four molecules of gallic acid respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H28O22
Net Charge 0
Average Mass 788.57292
Monoisotopic Mass 788.10722
InChI InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1
InChIKey XFLTYUCKJRFDOU-UEKZKNBCSA-N
SMILES OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 1,2,3,4-tetrakis-O-galloyl-α-D-glucose (CHEBI:479) has role plant metabolite (CHEBI:76924)
1,2,3,4-tetrakis-O-galloyl-α-D-glucose (CHEBI:479) is a gallate ester (CHEBI:37576)
1,2,3,4-tetrakis-O-galloyl-α-D-glucose (CHEBI:479) is a galloyl α-D-glucose (CHEBI:49215)
IUPAC Name
1,2,3,4-tetrakis-O-(3,4,5-trihydroxybenzoyl)-α-D-glucopyranose
Synonym Source
1,2,3,4-Tetragalloyl-alpha-D-glucose KEGG COMPOUND
Manual Xrefs Databases
C00002940 KNApSAcK
C10243 KEGG COMPOUND
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Registry Numbers Types Sources
132023-50-8 CAS Registry Number KEGG COMPOUND
4226731 Reaxys Registry Number Reaxys
Last Modified
30 January 2015