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CHEBI:68176 - (-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol

ChEBI IDCHEBI:68176
ChEBI Name(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol
Stars
DefinitionA natural product found in Machilus robusta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O9
Net Charge0
Average Mass436.457
Monoisotopic Mass436.17333
SMILESCOc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)cc(OC)c1O
InChIInChI=1S/C22H28O9/c1-27-15-5-11(6-16(28-2)19(15)25)21-13(9-23)14(10-24)22(31-21)12-7-17(29-3)20(26)18(8-12)30-4/h5-8,13-14,21-26H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
InChIKeyWKDDUPJDCWIWAP-HCIHMXRSSA-N
Species of MetaboliteComponentSourceComments
Machilus robusta (ncbitaxon:460780) bark (BTO:0001301) PubMed (21627109) 95%aqueous EtOH extract of air-dried bark
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)
(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:68176) has role metabolite (CHEBI:25212)
(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:68176) is a lignan (CHEBI:25036)
Synonyms  Source
huazhongilexinChEBI
4-[(2S,3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenolChEBI
Citations