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CHEBI:222622 - Oblongolide I

ChEBI IDCHEBI:222622
ChEBI NameOblongolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC[C@H]1CC[C@H]2[C@H](C1)C(=O)C=C1COC(=O)[C@@]12C
InChIInChI=1S/C14H18O3/c1-8-3-4-11-10(5-8)12(15)6-9-7-17-13(16)14(9,11)2/h6,8,10-11H,3-5,7H2,1-2H3/t8-,10-,11-,14-/m0/s1
InChIKeyYTHVCRZNSXHBAK-AEHQLWAISA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.200500290)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide I (CHEBI:222622) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(5aS,7S,9aS,9bR)-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1,5-dione
Manual XrefsDatabases
9775857ChemSpider