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CHEBI:197572 - (1S,9S,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

ChEBI IDCHEBI:197572
ChEBI Name(1S,9S,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCOc1cc(O)c2c(c1O)[C@H]1OC[C@@H](C2=O)[C@@H]1CC(C)=O
InChIInChI=1S/C15H16O6/c1-6(16)3-7-8-5-21-15(7)12-11(13(8)18)9(17)4-10(20-2)14(12)19/h4,7-8,15,17,19H,3,5H2,1-2H3/t7-,8+,15-/m0/s1
InChIKeyAPUXGZHCMAROOY-FWZFKDBCSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies BCC14842 (ncbitaxon:914077) - DOI (10.1016/j.tet.2011.07.078)
ChEBI Ontology
Outgoing Relation(s)
(1S,9S,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one (CHEBI:197572) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,9S,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
Manual XrefsDatabases
78436231ChemSpider