EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223066 - Oblongolide C1

ChEBI IDCHEBI:223066
ChEBI NameOblongolide C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@H]1CC[C@H]2[C@@H](C=C[C@]3(O)[C@@H](O)OC(=O)[C@]23C)C1
InChIInChI=1S/C14H20O4/c1-8-3-4-10-9(7-8)5-6-14(17)12(16)18-11(15)13(10,14)2/h5-6,8-10,12,16-17H,3-4,7H2,1-2H3/t8-,9-,10-,12-,13-,14-/m0/s1
InChIKeyJMPWVLVFLFBYFC-ARJJNVETSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (21512443)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide C1 (CHEBI:223066) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3S,3aR,5aR,7S,9aS,9bR)-3,3a-dihydroxy-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1-one
Manual XrefsDatabases
78439811ChemSpider