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CHEBI:216440 - Discosiolide

ChEBI IDCHEBI:216440
ChEBI NameDiscosiolide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESC=C1C(=O)O[C@H]2C(=O)O[C@H](CCCCCCCCCC)[C@@H]12
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-13-14-12(2)16(18)21-15(14)17(19)20-13/h13-15H,2-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyCKRYWVQIHADFLK-RBSFLKMASA-N
Species of MetaboliteComponentSourceComments
Discosia (ncbitaxon:162396) - PubMed (8119853)
ChEBI Ontology
Outgoing Relation(s)
Discosiolide (CHEBI:216440) is a furofuran (CHEBI:47790)
IUPAC Name 
(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-uro[3,4-b]uran-2,6-dione
Manual XrefsDatabases
8555147ChemSpider