EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208575 - Speciosin K

ChEBI IDCHEBI:208575
ChEBI NameSpeciosin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILESCC(C)=CCC1=C(C=CC(C)(C)O)[C@@H](O)CCC1=O
InChIInChI=1S/C16H24O3/c1-11(2)5-6-12-13(9-10-16(3,4)19)15(18)8-7-14(12)17/h5,9-10,15,18-19H,6-8H2,1-4H3/t15-/m0/s1
InChIKeyRTSLFDJEKOAUBR-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Hexagonia (ncbitaxon:114778) - PubMed (19624146)
ChEBI Ontology
Outgoing Relation(s)
Speciosin K (CHEBI:208575) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(4S)-4-hydroxy-3-(3-hydroxy-3-methylbut-1-enyl)-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one
Manual XrefsDatabases
78441292ChemSpider