EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228013 - Spiromastilactone B

ChEBI IDCHEBI:228013
ChEBI NameSpiromastilactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21Cl3O6
Net Charge0
Average Mass475.752
Monoisotopic Mass474.04037
SMILESCCCc1c(Cl)c(OC)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC
InChIInChI=1S/C21H21Cl3O6/c1-5-7-9-15(22)11(27-3)8-12(28-4)19(9)30-20-14-13(10(6-2)29-21(14)26)16(23)18(25)17(20)24/h8,10,25H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyHJYLKNAPYUDKSA-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (26686929)
ChEBI Ontology
Outgoing Relation(s)
Spiromastilactone B (CHEBI:228013) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R)-4,6-dichloro-7-(3-chloro-4,6-dimethoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
58197280ChemSpider