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CHEBI:69591 - Lawsonicin

ChEBI IDCHEBI:69591
ChEBI NameLawsonicin
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H24O6
Net Charge0
Average Mass360.406
Monoisotopic Mass360.15729
SMILESCOc1cc2c(cc1O)[C@H](CO)[C@@H](c1ccc(CCCO)c(OC)c1)O2
InChIInChI=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
InChIKeyDTWUHAOZSGPUHQ-MGPUTAFESA-N
Species of MetaboliteComponentSourceComments
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
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)
Lawsonicin (CHEBI:69591) has role metabolite (CHEBI:25212)
Lawsonicin (CHEBI:69591) is a benzofurans (CHEBI:35259)
Citations