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CHEBI:214819 - Speciosin N

ChEBI IDCHEBI:214819
ChEBI NameSpeciosin N
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SubmitterMetaboLights
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FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCC(O)(C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O)CO
InChIInChI=1S/C11H14O5/c1-10(15,6-12)4-5-11-8(14)3-2-7(13)9(11)16-11/h2-3,7-9,12-15H,6H2,1H3/t7-,8-,9+,10?,11-/m0/s1
InChIKeyNBVMVBRMJCNNNY-KLDZRKOQSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (21477823)
ChEBI Ontology
Outgoing Relation(s)
Speciosin N (CHEBI:214819) is a ynone (CHEBI:51723)
IUPAC Name 
(1S,2S,5S,6R)-1-(3,4-dihydroxy-3-methylbut-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
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78441338ChemSpider