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CHEBI:228027 - Spiromastilactone I

ChEBI IDCHEBI:228027
ChEBI NameSpiromastilactone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20Cl2O6
Net Charge0
Average Mass427.280
Monoisotopic Mass426.06369
SMILESCCCc1cc(O)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C20H20Cl2O6/c1-4-6-9-7-10(23)8-12(26-3)18(9)28-19-14-13(11(5-2)27-20(14)25)15(21)17(24)16(19)22/h7-8,11,23-24H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyQFBPDNTXXQTHQV-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone I (CHEBI:228027) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-3-ethyl-5-hydroxy-7-(4-hydroxy-2-methoxy-6-propylphenoxy)-3H-2-benzouran-1-one
Manual XrefsDatabases
58197287ChemSpider