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CHEBI:69663 - Ligraminol A

ChEBI IDCHEBI:69663
ChEBI NameLigraminol A
Stars
DefinitionA natural product found in Acorus gramineus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCOc1ccc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C23H30O6/c1-13-14(2)22(16-11-19(26-5)23(28-7)20(12-16)27-6)29-21(13)15-8-9-17(24-3)18(10-15)25-4/h8-14,21-22H,1-7H3/t13-,14+,21+,22+/m1/s1
InChIKeyFUFHSLKNBJRCDG-RUGJYQHNSA-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)
Ligraminol A (CHEBI:69663) has role metabolite (CHEBI:25212)
Ligraminol A (CHEBI:69663) is a lignan (CHEBI:25036)
Citations