CHEBI:69665 - Ligraminol C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ligraminol C
Definition A natural product found in Acorus gramineus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28O6
Net Charge 0
Average Mass 400.46480
Monoisotopic Mass 400.18859
InChI InChI=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
SMILES COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@@H](C)Oc1ccc(cc1OC)\C=C/C
Metabolite of Species Details
Acorus gramineus (NCBI:txid55184) Found in rhizome (BTO:0001181). 80% aqueous methanolic extract of rhizomes. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21936523 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzyl ether(CHEBI:59859); ISA:alkylbenzene(CHEBI:38976); ISA:olefinic compound(CHEBI:78840); ISA:methoxybenzene(CHEBI:51683); ISA:styrenes(CHEBI:26799); ISA:aromatic ether(CHEBI:35618); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);