EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227584 - Decaspirone C

ChEBI IDCHEBI:227584
ChEBI NameDecaspirone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESO=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O
InChIInChI=1S/C20H18O5/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/h1-6,9-10,12,14,18-19,21,23H,7-8H2/t12-,14+,18-,19+/m0/s1
InChIKeyGNGBJYHHQABICI-JUUKFZBDSA-N
Species of MetaboliteComponentSourceComments
Decaisnella (ncbitaxon:679176) - PubMed (17190439)
ChEBI Ontology
Outgoing Relation(s)
Decaspirone C (CHEBI:227584) 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,5,6,7,8,8a-hexahydronaphthalene]-1'-one
Manual XrefsDatabases
17214280ChemSpider