Ligraminol A (CHEBI:69663)

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ChEBI Name	Ligraminol A

ChEBI ID	CHEBI:69663

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

C23H30O6

Net Charge

Average Mass

402.48070

Monoisotopic Mass

402.20424

InChI

InChI=1S/C23H30O6/c1-13-14(2)22(16-11-19(26-5)23(28-7)20(12-16)27-6)29-21(13)15-8-9-17(24-3)18(10-15)25-4/h8-14,21-22H,1-7H3/t13-,14+,21+,22+/m1/s1

InChIKey

FUFHSLKNBJRCDG-RUGJYQHNSA-N

SMILES

COc1ccc(cc1OC)[C@H]1O[C@@H]([C@@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1

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.

ChEBI Ontology
Outgoing	Ligraminol A (CHEBI:69663) has role metabolite (CHEBI:25212) Ligraminol A (CHEBI:69663) is a lignan (CHEBI:25036)

Citation	Type	Source
21936523	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:lignan(CHEBI:25036); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxolanes(CHEBI:26912); ISA:ether(CHEBI:25698);