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CHEBI:215816 - Decaspirone E

ChEBI IDCHEBI:215816
ChEBI NameDecaspirone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O6
Net Charge0
Average Mass378.380
Monoisotopic Mass378.11034
SMILESCC(=O)O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1C(=O)C=CC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C22H18O6/c1-12(23)26-16-9-8-15(25)21-20(16)14(24)10-11-22(21)27-17-6-2-4-13-5-3-7-18(28-22)19(13)17/h2-11,15-16,20-21,25H,1H3/t15-,16+,20-,21-/m1/s1
InChIKeyVCGPNYQDRSFKQN-VAKZPMALSA-N
Species of MetaboliteComponentSourceComments
Decaisnella (ncbitaxon:679176) - PubMed (17190439)
ChEBI Ontology
Outgoing Relation(s)
Decaspirone E (CHEBI:215816) is a naphthalenes (CHEBI:25477)
IUPAC Name 
[(1S,4R,4aS,8aS)-4-hydroxy-8-oxospiro[1,4,4a,8a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-yl] acetate
Manual XrefsDatabases
17214282ChemSpider