CHEBI:139281 - (4ξ)-2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-D-ribo-hexopyranose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4ξ)-2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-D-ribo-hexopyranose
ChEBI ID CHEBI:139281
ChEBI ASCII Name (4xi)-2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-D-ribo-hexopyranose
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H20O12
Net Charge 0
Average Mass 452.366
Monoisotopic Mass 452.09548
InChI InChI=1S/C20H20O12/c21-10-3-1-8(2-4-10)19(28)32-17-16(26)15(25)13(31-20(17)29)7-30-18(27)9-5-11(22)14(24)12(23)6-9/h1-6,13,15-17,20-26,29H,7H2/t13-,15?,16-,17-,20?/m1/s1
InChIKey OQZUBZJEVMCTGO-TYZOZAEZSA-N
SMILES C1([C@H]([C@H](C(O[C@@H]1COC(C2=CC(=C(C(=C2)O)O)O)=O)O)OC(=O)C3=CC=C(C=C3)O)O)O
ChEBI Ontology
Outgoing (4ξ)-2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-D-ribo-hexopyranose (CHEBI:139281) is a gallate ester (CHEBI:37576)
Manual Xref Database
28284151 ChemSpider
View more database links
Last Modified
11 December 2017