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CHEBI:70613 - ligupersin A

ChEBI IDCHEBI:70613
ChEBI Nameligupersin A
Stars
DefinitionA natural product found in Ferula gumosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H28O5
Net Charge0
Average Mass396.483
Monoisotopic Mass396.19367
SMILES[H][C@]12C(=O)C=C(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@]1(C)CC[C@@H](O)C2(C)C
InChIInChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20-,22-,24+/m1/s1
InChIKeyHIQLOIOGTRDMIW-QSOCRCLWSA-N
Species of MetaboliteComponentSourceComments
Ferula gumosa (ncbitaxon:371349) root (BTO:0001188) PubMed (20961138) The plant powder was extracted with MeOH
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)
ligupersin A (CHEBI:70613) has role metabolite (CHEBI:25212)
ligupersin A (CHEBI:70613) is a coumarins (CHEBI:23403)
Citations