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CHEBI:218829 - Spiromastixone C

Default Structure
ChEBI IDCHEBI:218829
ChEBI NameSpiromastixone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19ClO5
Net Charge0
Average Mass362.809
Monoisotopic Mass362.09210
SMILESCCCc1cc(O)cc2c1Oc1c(Cl)c(O)cc(CCC)c1C(=O)O2
InChIInChI=1S/C19H19ClO5/c1-3-5-10-8-13(22)16(20)18-15(10)19(23)24-14-9-12(21)7-11(6-4-2)17(14)25-18/h7-9,21-22H,3-6H2,1-2H3
InChIKeyNRAMLPPUDKVQNJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (24571273)
ChEBI Ontology
Outgoing Relation(s)
Spiromastixone C (CHEBI:218829) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
10-chloro-3,9-dihydroxy-1,7-dipropylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
32674883ChemSpider