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CHEBI:217908 - Spiromabetaaritone

ChEBI IDCHEBI:217908
ChEBI NameSpiromabetaaritone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC=C1OC(=O)[C@@]23[C@H](C)[C@@H](CC(=O)[C@@H]2O)O[C@@H]13
InChIInChI=1S/C11H12O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,7-9,13H,2-3H2,1H3/t4-,7-,8+,9+,11+/m1/s1
InChIKeyOVBNBTYAVURRMB-XXDCOFTHSA-N
Species of MetaboliteComponentSourceComments
Massarina (ncbitaxon:45292) - PubMed (17376494)
ChEBI Ontology
Outgoing Relation(s)
Spiromabetaaritone (CHEBI:217908) is a furofuran (CHEBI:47790)
IUPAC Name 
(1S,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
Manual XrefsDatabases
9292814ChemSpider