EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204332 - Oblongolide C

ChEBI IDCHEBI:204332
ChEBI NameOblongolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESC[C@H]1CC[C@H]2[C@@H](C=C[C@]3(O)COC(=O)[C@]23C)C1
InChIInChI=1S/C14H20O3/c1-9-3-4-11-10(7-9)5-6-14(16)8-17-12(15)13(11,14)2/h5-6,9-11,16H,3-4,7-8H2,1-2H3/t9-,10-,11-,13-,14-/m0/s1
InChIKeyQSSKWTDLXGNHNM-GRLWGSQLSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.200500290)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide C (CHEBI:204332) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aR,5aR,7S,9aS,9bR)-3a-hydroxy-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1-one
Manual XrefsDatabases
9775885ChemSpider