CHEBI:69666 - Ligraminol D

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ChEBI Name Ligraminol D
ChEBI ID CHEBI:69666
Definition A natural product found in Acorus gramineus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O6
Net Charge 0
Average Mass 376.44340
Monoisotopic Mass 376.18859
InChI InChI=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
InChIKey MWNKZXPDVFFATH-KRWDZBQOSA-N
SMILES COc1ccc(C[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC
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 D (CHEBI:69666) has role metabolite (CHEBI:25212)
Ligraminol D (CHEBI:69666) is a phenylpropanoid (CHEBI:26004)
Citation Waiting for Citations Type Source
21936523 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:primary alcohol(CHEBI:15734);