CHEBI:226981 - Spiromastixone G

ChEBI IDCHEBI:226981
ChEBI NameSpiromastixone G
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SubmitterMetaboLights
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FormulaC20H19Cl3O5
Net Charge0
Average Mass445.726
Monoisotopic Mass444.02981
SMILESCCCc1c(Cl)c(OC)cc2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2
InChIInChI=1S/C20H19Cl3O5/c1-4-6-9-13-19(16(23)17(24)15(9)22)28-18-10(7-5-2)14(21)11(26-3)8-12(18)27-20(13)25/h8,24H,4-7H2,1-3H3
InChIKeyWJAVVCUQFJTSCE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (24571273)
ChEBI Ontology
Outgoing Relation(s)
Spiromastixone G (CHEBI:226981) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,8,10-trichloro-9-hydroxy-3-methoxy-1,7-dipropylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
32674887ChemSpider