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CHEBI:208593 - Bartanolide

ChEBI IDCHEBI:208593
ChEBI NameBartanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESC/C=C/C(=O)O[C@@H]1C[C@@H](C)OC(=O)CC[C@H](O)CC1=O
InChIInChI=1S/C14H20O6/c1-3-4-13(17)20-12-7-9(2)19-14(18)6-5-10(15)8-11(12)16/h3-4,9-10,12,15H,5-8H2,1-2H3/b4-3+/t9-,10+,12-/m1/s1
InChIKeyCHNUUPOAYWBFFJ-FJCCROBBSA-N
Species of MetaboliteComponentSourceComments
Bartalinia (ncbitaxon:162405) - PubMed (23481677)
ChEBI Ontology
Outgoing Relation(s)
Bartanolide (CHEBI:208593) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R,4R,7S)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl] (E)-but-2-enoate
Manual XrefsDatabases
29215576ChemSpider