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CHEBI:214728 - Speciosin A

ChEBI IDCHEBI:214728
ChEBI NameSpeciosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8O3
Net Charge0
Average Mass176.171
Monoisotopic Mass176.04734
SMILESC=CC#C[C@@]12O[C@@H]1[C@@H](O)C=CC2=O
InChIInChI=1S/C10H8O3/c1-2-3-6-10-8(12)5-4-7(11)9(10)13-10/h2,4-5,7,9,11H,1H2/t7-,9+,10-/m0/s1
InChIKeyAXIMRAFIBNWUDM-SFGNSQDASA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin A (CHEBI:214728) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5S,6R)-1-but-3-en-1-ynyl-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
28288328ChemSpider