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CHEBI:226914 - Versispiroketal A

ChEBI IDCHEBI:226914
ChEBI NameVersispiroketal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCC1=CC(=O)[C@]2(O)C[C@](C)(O)[C@H]1[C@]21Oc2cc(C)cc(O)c2O1
InChIInChI=1S/C17H18O6/c1-8-4-10(18)13-11(5-8)22-17(23-13)14-9(2)6-12(19)16(17,21)7-15(14,3)20/h4-6,14,18,20-21H,7H2,1-3H3/t14-,15-,16+,17+/m0/s1
InChIKeyWCQUEOCSRZTIPC-MWDXBVQZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30720839)
ChEBI Ontology
Outgoing Relation(s)
Versispiroketal A (CHEBI:226914) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(1'R,2R,5'S,6'S)-1',4,6'-trihydroxy-4',6,6'-trimethylspiro[1,3-benzodioxole-2,8'-bicyclo[3.2.1]oct-3-ene]-2'-one