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CHEBI:84408 - cleistanthin C

ChEBI IDCHEBI:84408
ChEBI Namecleistanthin C
Stars
DefinitionA member of the class of cleistanthins that is cleistanthin A in which the hydroxy group at position 4 of the glucoside moiety has been converted to the corresponding 2,3-di-O-methyl-β-D-xylopyranoside.
Last Modified21 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H38O16
Net Charge0
Average Mass702.662
Monoisotopic Mass702.21599
SMILESCOc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](OC)[C@H]4OC)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
InChIInChI=1S/C34H38O16/c1-40-20-8-15-16(9-21(20)41-2)28(17-11-44-32(39)25(17)24(15)14-5-6-19-22(7-14)47-13-46-19)49-33-27(38)26(37)30(23(10-35)48-33)50-34-31(43-4)29(42-3)18(36)12-45-34/h5-9,18,23,26-27,29-31,33-38H,10-13H2,1-4H3/t18-,23-,26-,27-,29+,30-,31-,33+,34+/m1/s1
InChIKeySOUKMFVXMWFSFB-ZQJLHNCHSA-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 C (CHEBI:84408) has functional parent cleistanthin B (CHEBI:84407)
cleistanthin C (CHEBI:84408) is a cleistanthins (CHEBI:84406)
cleistanthin C (CHEBI:84408) is a disaccharide derivative (CHEBI:63353)
Incoming Relation(s)
cleistanthin E (CHEBI:84416) has functional parent cleistanthin C (CHEBI:84408)
IUPAC Name 
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 4-O-(2,3-di-O-methyl-β-D-xylopyranosyl)-β-D-glucopyranoside
Manual XrefsDatabases
C00031682KNApSAcK
Registry NumbersSources
Reaxys:5214311Reaxys
CAS:57576-58-6KNApSAcK
Citations