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CHEBI:228021 - Spiromastilactone F

ChEBI IDCHEBI:228021
ChEBI NameSpiromastilactone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17Cl3O6
Net Charge0
Average Mass447.698
Monoisotopic Mass446.00907
SMILESCCCc1c(Cl)c(O)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C19H17Cl3O6/c1-3-5-7-13(20)8(23)6-9(24)17(7)28-18-12-11(10(4-2)27-19(12)26)14(21)16(25)15(18)22/h6,10,23-25H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyMBBYKKCSXULVEJ-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone F (CHEBI:228021) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(3-chloro-4,6-dihydroxy-2-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197284ChemSpider