EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68332 - robinetinidol-(4α,8)-gallocatechin

ChEBI IDCHEBI:68332
ChEBI Namerobinetinidol-(4α,8)-gallocatechin
Stars
ASCII Namerobinetinidol-(4alpha,8)-gallocatechin
DefinitionA ring assembly that consists of robinetinidol attached to a gallocatechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.
Last Modified20 April 2021
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESOc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2
InChIInChI=1S/C30H26O13/c31-12-1-2-13-22(7-12)42-29(11-5-19(36)26(40)20(37)6-11)27(41)23(13)24-16(33)9-15(32)14-8-21(38)28(43-30(14)24)10-3-17(34)25(39)18(35)4-10/h1-7,9,21,23,27-29,31-41H,8H2/t21-,23-,27-,28+,29+/m0/s1
InChIKeyKQBOEJCDGYYZJZ-ITCYIJQVSA-N
Species of MetaboliteComponentSourceComments
Acacia mearnsii (ncbitaxon:139012) bark (BTO:0001301) PubMed (21192716) Spray-dried aqueous extract of bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has functional parent (+)-gallocatechin (CHEBI:31018)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has functional parent robinetinidol (CHEBI:68327)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has role metabolite (CHEBI:25212)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) is a catechin (CHEBI:23053)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
Registry NumbersSources
Reaxys:8181628Reaxys
Citations