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CHEBI:69667 - Ligraminol E

ChEBI IDCHEBI:69667
ChEBI NameLigraminol E
Stars
DefinitionA natural product found in Acorus gramineus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESCOc1cc(C[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O
InChIInChI=1S/C20H26O6/c1-24-19-12-15(5-7-17(19)23)10-16(13-22)26-18-8-6-14(4-3-9-21)11-20(18)25-2/h5-8,11-12,16,21-23H,3-4,9-10,13H2,1-2H3/t16-/m1/s1
InChIKeyUAGBDLXEDIGWJU-MRXNPFEDSA-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 E (CHEBI:69667) has role metabolite (CHEBI:25212)
Ligraminol E (CHEBI:69667) is a phenylpropanoid (CHEBI:26004)
Citations