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CHEBI:215416 - Spicifernin B

ChEBI IDCHEBI:215416
ChEBI NameSpicifernin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESCCC(C)C(=O)CC(COC=O)C(C)C(C)=O
InChIInChI=1S/C13H22O4/c1-5-9(2)13(16)6-12(7-17-8-14)10(3)11(4)15/h8-10,12H,5-7H2,1-4H3
InChIKeyIXVSTZQPZCHOCI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Spicifernin B (CHEBI:215416) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[5-methyl-4-oxo-2-(3-oxobutan-2-yl)heptyl] ormate
Manual XrefsDatabases
78443715ChemSpider