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CHEBI:70490 - Dihydrocubebin, rel-

ChEBI IDCHEBI:70490
ChEBI NameDihydrocubebin, rel-
Stars
DefinitionA natural product found in Piper sanguineispicum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESOC[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m1/s1
InChIKeyJKCVMTYNARDGET-HZPDHXFCSA-N
Species of MetaboliteComponentSourceComments
Piper sanguineispicum (IPNI:199083-2) leaf (BTO:0000713) PubMed (20954722) 90% ethanolic extract of dried leaves
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)
Dihydrocubebin, rel- (CHEBI:70490) has role metabolite (CHEBI:25212)
Dihydrocubebin, rel- (CHEBI:70490) is a lignan (CHEBI:25036)
Synonym  Source
rel-1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R,R))-ChEBI
Registry NumbersSources
CAS:24563-03-9ChemIDplus
Citations