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CHEBI:204856 - Speciosin B

ChEBI IDCHEBI:204856
ChEBI NameSpeciosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8O4
Net Charge0
Average Mass192.170
Monoisotopic Mass192.04226
SMILESO=C1C=C[C@H](O)[C@H]2O[C@@]12C#CC1CO1
InChIInChI=1S/C10H8O4/c11-7-1-2-8(12)10(9(7)14-10)4-3-6-5-13-6/h1-2,6-7,9,11H,5H2/t6?,7-,9+,10-/m0/s1
InChIKeyNMVKRQSNUNLTPY-BYQWJPFDSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin B (CHEBI:204856) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5S,6R)-5-hydroxy-1-[2-(oxiran-2-yl)ethynyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
74166614ChemSpider