EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217608 - Oblongolide N

ChEBI IDCHEBI:217608
ChEBI NameOblongolide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@@H]1C[C@@H]2C=C[C@]3(O)COC(=O)[C@]3(C)[C@H]2C[C@H]1O
InChIInChI=1S/C14H20O4/c1-8-5-9-3-4-14(17)7-18-12(16)13(14,2)10(9)6-11(8)15/h3-4,8-11,15,17H,5-7H2,1-2H3/t8-,9+,10+,11-,13+,14+/m1/s1
InChIKeyJERURDSCJJKNSY-BYYLKJONSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies XZ-26 (ncbitaxon:357842) - DOI (10.1002/ejoc.200801021)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide N (CHEBI:217608) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aR,5aR,7R,8R,9aS,9bR)-3a,8-dihydroxy-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1-one
Manual XrefsDatabases
28286453ChemSpider