EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69668 - Ganschisandrin

ChEBI IDCHEBI:69668
ChEBI NameGanschisandrin
Stars
DefinitionA natural product found in Acorus gramineus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESCOc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14+,21-,22-/m0/s1
InChIKeyJLJAVUZBHSLLJL-RZMCSOMXSA-N
Species of MetaboliteComponentSourceComments
Acorus gramineus (ncbitaxon:55184) rhizome (BTO:0001181) PubMed (21936523) 80% aqueous methanolic extract of rhizomes.
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)
Ganschisandrin (CHEBI:69668) has role metabolite (CHEBI:25212)
Ganschisandrin (CHEBI:69668) is a lignan (CHEBI:25036)
Synonym  Source
(2S,3R,4S,5S)-2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuranChEBI
Citations