EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200292 - 4RS,7RS,11RS,2H-3,4,4a,5a,7,8-hexahydro-4-hydroxy-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one

ChEBI IDCHEBI:200292
ChEBI Name4RS,7RS,11RS,2H-3,4,4a,5a,7,8-hexahydro-4-hydroxy-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESO=C1CCC2=C1[C@H]1[C@H](OCC[C@H]1O)OC2
InChIInChI=1S/C11H14O4/c12-7-2-1-6-5-15-11-10(9(6)7)8(13)3-4-14-11/h8,10-11,13H,1-5H2/t8-,10+,11-/m1/s1
InChIKeyYJFYYEMGRRPKKL-DVVUODLYSA-N
Species of MetaboliteComponentSourceComments
Actinoalloteichus (ncbitaxon:65496) - PubMed (23432091)
ChEBI Ontology
Outgoing Relation(s)
4RS,7RS,11RS,2H-3,4,4a,5a,7,8-hexahydro-4-hydroxy-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one (CHEBI:200292) is a pyrans (CHEBI:26407)
IUPAC Name 
(1R,9R,13R)-13-hydroxy-8,10-dioxatricyclo[7.4.0.02,6]tridec-2(6)-en-3-one
Manual XrefsDatabases
78440820ChemSpider