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CHEBI:205807 - Speciosin E

ChEBI IDCHEBI:205807
ChEBI NameSpeciosin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O5
Net Charge0
Average Mass212.201
Monoisotopic Mass212.06847
SMILESOCC(O)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O
InChIInChI=1S/C10H12O5/c11-5-6(12)3-4-10-8(14)2-1-7(13)9(10)15-10/h1-2,6-9,11-14H,5H2/t6?,7-,8-,9+,10-/m0/s1
InChIKeyJWTSHQHIVXHRCI-RXAGQUSBSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin E (CHEBI:205807) is a ynone (CHEBI:51723)
IUPAC Name 
(1S,2S,5S,6R)-1-(3,4-dihydroxybut-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual XrefsDatabases
78441060ChemSpider