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CHEBI:84416 - cleistanthin E

ChEBI IDCHEBI:84416
ChEBI Namecleistanthin E
Stars
DefinitionA member of the class of cleistanthins that is cleistanthin C in which the hydroxy group at position 4 of the 2,3-di-O-methyl-β-D-xylopyranosyl moiety has been converted to the corresponding 2,3,5-tri-O-methyl-D-xylofuranoside.
Last Modified21 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H52O20
Net Charge0
Average Mass876.858
Monoisotopic Mass876.30519
SMILESCOC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](Oc4c5c(c(-c6ccc7c(c6)OCO7)c6cc(OC)c(OC)cc46)C(=O)OC5)O[C@@H]3CO)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C42H52O20/c1-47-15-27-35(50-4)38(53-7)42(59-27)60-28-16-55-41(37(52-6)36(28)51-5)62-34-26(13-43)58-40(32(45)31(34)44)61-33-20-12-24(49-3)23(48-2)11-19(20)29(30-21(33)14-54-39(30)46)18-8-9-22-25(10-18)57-17-56-22/h8-12,26-28,31-32,34-38,40-45H,13-17H2,1-7H3/t26-,27-,28-,31-,32-,34-,35+,36+,37-,38-,40+,41+,42+/m1/s1
InChIKeyVBUYDYFOLFVYET-YSGUZRDFSA-N
Species of MetaboliteComponentSourceComments
Cleistanthus collinus (ncbitaxon:1357584) heartwood (PO:0004512) Article (Tetrahedron, 1981, 37, 3641-3652)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cleistanthin E (CHEBI:84416) has functional parent cleistanthin C (CHEBI:84408)
cleistanthin E (CHEBI:84416) is a cleistanthins (CHEBI:84406)
cleistanthin E (CHEBI:84416) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,5-tri-O-methyl-β-D-xylofuranosyl-(1→4)-2,3-di-O-methyl-β-D-xylopyranosyl-(1→4)-β-D-glucopyranoside
Registry NumbersSources
Reaxys:5224385Reaxys