Lawsonicin (CHEBI:69591)

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ChEBI Name	Lawsonicin

ChEBI ID	CHEBI:69591

Definition	A natural product found in Paeonia rockii subspeciesrockii.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O6

Net Charge

Average Mass

360.40100

Monoisotopic Mass

360.15729

InChI

InChI=1S/C20H24O6/c1-24-17-8-13(6-5-12(17)4-3-7-21)20-15(11-22)14-9-16(23)19(25-2)10-18(14)26-20/h5-6,8-10,15,20-23H,3-4,7,11H2,1-2H3/t15-,20+/m0/s1

InChIKey

DTWUHAOZSGPUHQ-MGPUTAFESA-N

SMILES

COc1cc2O[C@@H]([C@@H](CO)c2cc1O)c1ccc(CCCO)c(OC)c1

Metabolite of Species	Details
Paeonia rockii subsp. rockii (NCBI:txid459179)	Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots 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	Lawsonicin (CHEBI:69591) has role metabolite (CHEBI:25212) Lawsonicin (CHEBI:69591) is a benzofurans (CHEBI:35259)

Citation	Type	Source
21954959	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:polyol(CHEBI:26191); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734);