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CHEBI:211146 - Oblongolide E

ChEBI IDCHEBI:211146
ChEBI NameOblongolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@@]12C(=O)OC[C@]1(O)C=C[C@@H]1C[C@H](CO)CC[C@H]12
InChIInChI=1S/C14H20O4/c1-13-11-3-2-9(7-15)6-10(11)4-5-14(13,17)8-18-12(13)16/h4-5,9-11,15,17H,2-3,6-8H2,1H3/t9-,10-,11-,13-,14-/m1/s1
InChIKeyBEWMYGSBKPWECJ-JIFFNSBPSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.200500290)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide E (CHEBI:211146) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aS,5aS,7R,9aR,9bS)-3a-hydroxy-7-(hydroxymethyl)-9b-methyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1-one
Manual XrefsDatabases
78437974ChemSpider