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CHEBI:69665 - Ligraminol C

ChEBI IDCHEBI:69665
ChEBI NameLigraminol C
Stars
DefinitionA natural product found in Acorus gramineus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H28O6
Net Charge0
Average Mass400.471
Monoisotopic Mass400.18859
SMILESC/C=C\c1ccc(O[C@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1
InChIKeyPYVVKTYHVHGNMI-ZJTDORCHSA-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 C (CHEBI:69665) has functional parent benzyl alcohol (CHEBI:17987)
Ligraminol C (CHEBI:69665) has role metabolite (CHEBI:25212)
Ligraminol C (CHEBI:69665) is a carboxylic ester (CHEBI:33308)
Citations