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CHEBI:201882 - Epiphorellic acid 2

ChEBI IDCHEBI:201882
ChEBI NameEpiphorellic acid 2
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FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESCCCCCc1c(Oc2cc(O)cc(CCC(=O)CC)c2C(=O)OC)c(OC)cc(O)c1C(=O)O
InChIInChI=1S/C26H32O9/c1-5-7-8-9-18-23(25(30)31)19(29)14-21(33-3)24(18)35-20-13-17(28)12-15(10-11-16(27)6-2)22(20)26(32)34-4/h12-14,28-29H,5-11H2,1-4H3,(H,30,31)
InChIKeySGQNLWJQSWFWLJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Epiphorellic acid 2 (CHEBI:201882) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-3-[5-hydroxy-2-methoxycarbonyl-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoic acid
Manual XrefsDatabases
123960105ChemSpider