EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217903 - Speciosin F

ChEBI IDCHEBI:217903
ChEBI NameSpeciosin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCOCC(O)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O
InChIInChI=1S/C11H14O5/c1-15-6-7(12)4-5-11-9(14)3-2-8(13)10(11)16-11/h2-3,7-10,12-14H,6H2,1H3/t7?,8-,9-,10+,11-/m0/s1
InChIKeyAKZOGHIOUABLTI-GBHDRSIESA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin F (CHEBI:217903) is a ynone (CHEBI:51723)
IUPAC Name 
(1S,2S,5S,6R)-1-(3-hydroxy-4-methoxybut-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual XrefsDatabases
78441361ChemSpider