EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222657 - PD 125375

ChEBI IDCHEBI:222657
ChEBI NamePD 125375
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO2
Net Charge0
Average Mass217.268
Monoisotopic Mass217.11028
SMILESC/C=C1/CC2C(=O)n3cccc3[C@H](O)C2C1
InChIInChI=1S/C13H15NO2/c1-2-8-6-9-10(7-8)13(16)14-5-3-4-11(14)12(9)15/h2-5,9-10,12,15H,6-7H2,1H3/b8-2+/t9?,10?,12-/m1/s1
InChIKeyHSOCGXNUHYEJGJ-LWDXLBHQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1021/jo00378a032)
ChEBI Ontology
Outgoing Relation(s)
PD 125375 (CHEBI:222657) is a heteroarene (CHEBI:33833)
IUPAC Name 
(7E,9R)-7-ethylidene-9-hydroxy-6,8,8a,9-tetrahydro-5aH-cyclopenta[]indolizin-5-one