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CHEBI:228017 - Spiromastilactone D

ChEBI IDCHEBI:228017
ChEBI NameSpiromastilactone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19Cl3O6
Net Charge0
Average Mass461.725
Monoisotopic Mass460.02472
SMILESCCCc1c(Cl)c(O)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C20H19Cl3O6/c1-4-6-8-14(21)9(24)7-11(27-3)18(8)29-19-13-12(10(5-2)28-20(13)26)15(22)17(25)16(19)23/h7,10,24-25H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyGYEJOONXIBXGBA-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone D (CHEBI:228017) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197282ChemSpider