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CHEBI:206073 - Epiphorellic acid 3

ChEBI IDCHEBI:206073
ChEBI NameEpiphorellic acid 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O8
Net Charge0
Average Mass446.496
Monoisotopic Mass446.19407
SMILESCCCCCc1c(Oc2cc(O)cc(CCC)c2C(=O)OC)c(OC)cc(O)c1C(=O)O
InChIInChI=1S/C24H30O8/c1-5-7-8-10-16-21(23(27)28)17(26)13-19(30-3)22(16)32-18-12-15(25)11-14(9-6-2)20(18)24(29)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKeyFRPPQYVAQHOWFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coelopogon abraxas (ncbitaxon:235502) - DOI (10.1071/c97083)
ChEBI Ontology
Outgoing Relation(s)
Epiphorellic acid 3 (CHEBI:206073) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-3-(5-hydroxy-2-methoxycarbonyl-3-propylphenoxy)-4-methoxy-2-pentylbenzoic acid
Manual XrefsDatabases
9298297ChemSpider