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CHEBI:216568 - Speciosin M

ChEBI IDCHEBI:216568
ChEBI NameSpeciosin M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCC(=O)OCC(C)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O
InChIInChI=1S/C13H16O5/c1-8(7-17-9(2)14)5-6-13-11(16)4-3-10(15)12(13)18-13/h3-4,8,10-12,15-16H,7H2,1-2H3/t8?,10-,11-,12+,13-/m0/s1
InChIKeyJKDYXIPQPNPYOX-HKPRDLDOSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (21477823)
ChEBI Ontology
Outgoing Relation(s)
Speciosin M (CHEBI:216568) is a ynone (CHEBI:51723)
IUPAC Name 
[4-[(1S,2S,5S,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-3-ynyl] acetate
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78441155ChemSpider