EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228029 - Spiromastilactone J

ChEBI IDCHEBI:228029
ChEBI NameSpiromastilactone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16Cl4O6
Net Charge0
Average Mass482.143
Monoisotopic Mass479.97010
SMILESCCCc1c(Cl)c(O)c(Cl)c(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C19H16Cl4O6/c1-3-5-6-10(20)14(24)12(22)16(26)17(6)29-18-9-8(7(4-2)28-19(9)27)11(21)15(25)13(18)23/h7,24-26H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySXEAIYNDKQOFJM-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone J (CHEBI:228029) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(3,5-dichloro-2,4-dihydroxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197288ChemSpider