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CHEBI:65641 - Cleistanone(rac)

Default Structure
ChEBI IDCHEBI:65641
ChEBI NameCleistanone(rac)
Stars
DefinitionA natural product found in Cleistanthus collinus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H18O8
Net Charge0
Average Mass410.378
Monoisotopic Mass410.10017
SMILESCOc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3OC
InChIInChI=1S/C22H18O8/c1-25-14-7-11-12(8-15(14)26-2)20(23)19-18(21(24)30-22(19)27-3)17(11)10-4-5-13-16(6-10)29-9-28-13/h4-8,22-23H,9H2,1-3H3
InChIKeyXURLTFUKDPZAPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cleistanthus collinus (ncbitaxon:1357584) aerial part (BTO:0001658) PubMed (14600376)
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)
Cleistanone(rac) (CHEBI:65641) has role metabolite (CHEBI:25212)
Cleistanone(rac) (CHEBI:65641) is a lignan (CHEBI:25036)
Synonym  Source
rac-1-hydroxy-2a-methoxy-2-(-hydroxymethyl)-6,7-dimethoxy-4-(3,4-methylenedioxy-phenyl)-3-naphthoic acid-gamma-lactoneChEBI
Citations