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CHEBI:228025 - Spiromastilactone H

ChEBI IDCHEBI:228025
ChEBI NameSpiromastilactone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18Cl2O6
Net Charge0
Average Mass413.253
Monoisotopic Mass412.04804
SMILESCCCc1cc(O)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C19H18Cl2O6/c1-3-5-8-6-9(22)7-10(23)17(8)27-18-13-12(11(4-2)26-19(13)25)14(20)16(24)15(18)21/h6-7,11,22-24H,3-5H2,1-2H3/t11-/m1/s1
InChIKeyJQCNBRBWHQWPPW-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone H (CHEBI:228025) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(2,4-dihydroxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197286ChemSpider