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CHEBI:220508 - 3-methylpentyl-2, 4-dichloroasterrate

ChEBI IDCHEBI:220508
ChEBI Name3-methylpentyl-2, 4-dichloroasterrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30Cl2O8
Net Charge0
Average Mass529.413
Monoisotopic Mass528.13177
SMILESCC[C@H](C)CCCCOC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)OC
InChIInChI=1S/C25H30Cl2O8/c1-6-13(2)9-7-8-10-34-25(31)18-21(29)19(26)14(3)20(27)23(18)35-22-16(24(30)33-5)11-15(28)12-17(22)32-4/h11-13,28-29H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyYPFKXMHKWMJZBF-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28494651)
ChEBI Ontology
Outgoing Relation(s)
3-methylpentyl-2, 4-dichloroasterrate (CHEBI:220508) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-methylheptyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual XrefsDatabases
78435822ChemSpider