EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212595 - Decaspirone A

ChEBI IDCHEBI:212595
ChEBI NameDecaspirone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)C=C[C@H]2O
InChIInChI=1S/C20H16O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-10,12,14,18-19,21,23H/t12-,14+,18-,19+/m0/s1
InChIKeyLLKZNSIXLPVPBZ-JUUKFZBDSA-N
Species of MetaboliteComponentSourceComments
Decaisnella (ncbitaxon:679176) - PubMed (17190439)
ChEBI Ontology
Outgoing Relation(s)
Decaspirone A (CHEBI:212595) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4'aS,5'R,8'S,8'aS)-5',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-4a,5,8,8a-tetrahydronaphthalene]-1'-one
Manual XrefsDatabases
17214279ChemSpider