EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68174 - (-)-isoguaiacin

ChEBI IDCHEBI:68174
ChEBI Name(-)-isoguaiacin
Stars
DefinitionA natural product found in Machilus robusta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCOc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@H]2C)ccc1O
InChIInChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12-,20-/m1/s1
InChIKeyTZAAYUCUPIYQBR-FKANQGBASA-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)
(-)-isoguaiacin (CHEBI:68174) has role metabolite (CHEBI:25212)
(-)-isoguaiacin (CHEBI:68174) is a lignan (CHEBI:25036)
Synonym  Source
(6R,7R,8R)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-olChEBI
Citations