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CHEBI:200336 - Spiromastixone B

Default Structure
ChEBI IDCHEBI:200336
ChEBI NameSpiromastixone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19ClO5
Net Charge0
Average Mass362.809
Monoisotopic Mass362.09210
SMILESCCCc1cc(O)cc2c1Oc1cc(O)c(Cl)c(CCC)c1C(=O)O2
InChIInChI=1S/C19H19ClO5/c1-3-5-10-7-11(21)8-15-18(10)24-14-9-13(22)17(20)12(6-4-2)16(14)19(23)25-15/h7-9,21-22H,3-6H2,1-2H3
InChIKeyZFPNAMICEQXOOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (24571273)
ChEBI Ontology
Outgoing Relation(s)
Spiromastixone B (CHEBI:200336) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
8-chloro-3,9-dihydroxy-1,7-dipropylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
32674882ChemSpider