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CHEBI:69666 - Ligraminol D

ChEBI IDCHEBI:69666
ChEBI NameLigraminol D
Stars
DefinitionA natural product found in Acorus gramineus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCOc1ccc(C[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC
InChIInChI=1S/C21H28O6/c1-24-18-8-7-16(13-20(18)25-2)11-17(14-23)27-19-9-6-15(5-4-10-22)12-21(19)26-3/h6-9,12-13,17,22-23H,4-5,10-11,14H2,1-3H3/t17-/m0/s1
InChIKeyMWNKZXPDVFFATH-KRWDZBQOSA-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 D (CHEBI:69666) has role metabolite (CHEBI:25212)
Ligraminol D (CHEBI:69666) is a phenylpropanoid (CHEBI:26004)
Citations