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CHEBI:222465 - Spiromastixone A

Default Structure
ChEBI IDCHEBI:222465
ChEBI NameSpiromastixone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESCCCc1cc(O)cc2c1Oc1cc(O)cc(CCC)c1C(=O)O2
InChIInChI=1S/C19H20O5/c1-3-5-11-7-13(20)9-15-17(11)19(22)24-16-10-14(21)8-12(6-4-2)18(16)23-15/h7-10,20-21H,3-6H2,1-2H3
InChIKeyIKKIGBFMFYLXGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastixspecies (ncbitaxon:2044277) - PubMed (24571273)
ChEBI Ontology
Outgoing Relation(s)
Spiromastixone A (CHEBI:222465) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-1,7-dipropylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
32033780ChemSpider