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CHEBI:84409 - cleistanthin D

ChEBI IDCHEBI:84409
ChEBI Namecleistanthin D
Stars
DefinitionA member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group.
Last Modified21 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H30O11
Net Charge0
Average Mass554.548
Monoisotopic Mass554.17881
SMILESCOC[C@H]1O[C@@H](Oc2c3c(c(-c4ccc5c(c4)OCO5)c4cc(OC)c(OC)cc24)C(=O)OC3)[C@H](OC)[C@H]1OC
InChIInChI=1S/C29H30O11/c1-31-12-22-26(34-4)27(35-5)29(39-22)40-25-16-10-20(33-3)19(32-2)9-15(16)23(24-17(25)11-36-28(24)30)14-6-7-18-21(8-14)38-13-37-18/h6-10,22,26-27,29H,11-13H2,1-5H3/t22-,26+,27-,29+/m1/s1
InChIKeyXKNYFHSUBJVWQX-YXPSQANSSA-N
Species of MetaboliteComponentSourceComments
Cleistanthus collinus (ncbitaxon:1357584) aerial part (BTO:0001658) PubMed (14600376)
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 D (CHEBI:84409) is a cleistanthins (CHEBI:84406)
cleistanthin D (CHEBI:84409) is a monosaccharide derivative (CHEBI:63367)
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-xylofuranoside
Registry NumbersSources
Reaxys:5195451Reaxys
Citations