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CHEBI:204397 - Speciosin C

ChEBI IDCHEBI:204397
ChEBI NameSpeciosin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESC=C(C)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O
InChIInChI=1S/C11H12O3/c1-7(2)5-6-11-9(13)4-3-8(12)10(11)14-11/h3-4,8-10,12-13H,1H2,2H3/t8-,9-,10+,11-/m0/s1
InChIKeyOMLYZYDAPOLXGH-MMWGEVLESA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin C (CHEBI:204397) is a ynone (CHEBI:51723)
IUPAC Name 
(1S,2S,5S,6R)-1-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual XrefsDatabases
78440988ChemSpider