EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207867 - Sporormielloside

ChEBI IDCHEBI:207867
ChEBI NameSporormielloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESCOc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H22O11/c1-7-3-8(23)13-10(4-7)30-20-14(16(13)26)9(24)5-11(29-2)19(20)32-21-18(28)17(27)15(25)12(6-22)31-21/h3-5,12,15,17-18,21-25,27-28H,6H2,1-2H3/t12-,15-,17+,18-,21+/m1/s1
InChIKeyGGLFTHKHDNPJRA-LIBJPBHASA-N
Species of MetaboliteComponentSourceComments
Sporormiella (ncbitaxon:718228) - PubMed (27294906)
ChEBI Ontology
Outgoing Relation(s)
Sporormielloside (CHEBI:207867) is a xanthones (CHEBI:51149)
IUPAC Name 
1,8-dihydroxy-3-methoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Manual XrefsDatabases
78437343ChemSpider