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CHEBI:68175 - (-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan

ChEBI IDCHEBI:68175
ChEBI Name(-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan
Stars
DefinitionA natural product found in Machilus robusta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCOc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@H]2C)ccc1O
InChIInChI=1S/C21H26O5/c1-11-8-14-10-17(25-4)20(23)21(26-5)19(14)18(12(11)2)13-6-7-15(22)16(9-13)24-3/h6-7,9-12,18,22-23H,8H2,1-5H3/t11-,12-,18-/m1/s1
InChIKeyVEFZLUCJNOJAGR-SEDUGSJDSA-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)
(-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan (CHEBI:68175) has role metabolite (CHEBI:25212)
(-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan (CHEBI:68175) is a lignan (CHEBI:25036)
Synonym  Source
(6R,7R,8R)-8-(4-hydroxy-3-methoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-olChEBI
Citations