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CHEBI:198466 - Decarboxydivaricatic acid

Default Structure
ChEBI IDCHEBI:198466
ChEBI NameDecarboxydivaricatic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O5
Net Charge0
Average Mass344.407
Monoisotopic Mass344.16237
SMILESCCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1
InChIInChI=1S/C20H24O5/c1-4-6-13-8-15(21)11-17(9-13)25-20(23)19-14(7-5-2)10-16(24-3)12-18(19)22/h8-12,21-22H,4-7H2,1-3H3
InChIKeyGRRCMANLWQNHJK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xanthoparmelia (ncbitaxon:111621) - DOI (10.1071/c97091)
ChEBI Ontology
Outgoing Relation(s)
Decarboxydivaricatic acid (CHEBI:198466) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-hydroxy-5-propylphenyl) 2-hydroxy-4-methoxy-6-propylbenzoate
Manual XrefsDatabases
78435418ChemSpider