EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222661 - Diospentenol A

ChEBI IDCHEBI:222661
ChEBI NameDiospentenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESC=CC[C@@H]1C(=O)C(O)=C2C=CCO[C@@H]21
InChIInChI=1S/C11H12O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2-3,5,7,11,13H,1,4,6H2/t7-,11-/m1/s1
InChIKeyMEGIWLXMJIJNNJ-RDDDGLTNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.3987/com-13-12795)
ChEBI Ontology
Outgoing Relation(s)
Diospentenol A (CHEBI:222661) is a pyrans (CHEBI:26407)
IUPAC Name 
(7S,7aR)-5-hydroxy-7-prop-2-enyl-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
Manual XrefsDatabases
78443483ChemSpider