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CHEBI:201827 - Speciosin I

ChEBI IDCHEBI:201827
ChEBI NameSpeciosin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCC(C)=CC[C@@H]1C[C@H](O)CC[C@@H]1O
InChIInChI=1S/C11H20O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,9-13H,4-7H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyOWPNFFDPVVLGEV-MXWKQRLJSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin I (CHEBI:201827) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
(1S,2R,4R)-2-(3-methylbut-2-enyl)cyclohexane-1,4-diol
Manual XrefsDatabases
61443837ChemSpider