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CHEBI:228019 - Spiromastilactone E

ChEBI IDCHEBI:228019
ChEBI NameSpiromastilactone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19Cl3O6
Net Charge0
Average Mass461.725
Monoisotopic Mass460.02472
SMILESCCCc1cc(O)c(Cl)c(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C20H19Cl3O6/c1-4-6-8-7-9(24)13(21)19(27-3)17(8)29-18-12-11(10(5-2)28-20(12)26)14(22)16(25)15(18)23/h7,10,24-25H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyVOCLBZJDBXXRDS-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone E (CHEBI:228019) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(3-chloro-4-hydroxy-2-methoxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197283ChemSpider