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CHEBI:181024 - 8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one

ChEBI IDCHEBI:181024
ChEBI Name8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILESCCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1
InChIInChI=1S/C25H30O6/c1-3-5-7-9-16-11-18(26)14-21(28)24(16)31-22-15-19(27)12-17-13-20(10-8-6-4-2)30-25(29)23(17)22/h11-15,26-28H,3-10H2,1-2H3
InChIKeyNXAFAINHPNBMLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one (CHEBI:181024) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one
Manual XrefsDatabases
22370195ChemSpider