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CHEBI:209000 - Iso-balticol B-4,9-acetonide

ChEBI IDCHEBI:209000
ChEBI NameIso-balticol B-4,9-acetonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCOc1cc(O)c2c(c1)[C@@H]1OC(C)(C)OC[C@@H]1CC2=O
InChIInChI=1S/C15H18O5/c1-15(2)19-7-8-4-11(16)13-10(14(8)20-15)5-9(18-3)6-12(13)17/h5-6,8,14,17H,4,7H2,1-3H3/t8-,14+/m0/s1
InChIKeyJWWOQLHYFRLQJM-RMLUDKJBSA-N
Species of MetaboliteComponentSourceComments
Teratosphaeria (ncbitaxon:237584) - PubMed (29373790)
ChEBI Ontology
Outgoing Relation(s)
Iso-balticol B-4,9-acetonide (CHEBI:209000) is a tetralins (CHEBI:36786)
IUPAC Name 
(4aS,10bR)-7-hydroxy-9-methoxy-2,2-dimethyl-4,4a,5,10b-tetrahydrobenzo[h][1,3]benzodioxin-6-one
Manual XrefsDatabases
78443336ChemSpider