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CHEBI:222988 - Mabetaarilactone acetonide

ChEBI IDCHEBI:222988
ChEBI NameMabetaarilactone acetonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESC=C1OC(=O)[C@]23[C@@H]1O[C@@H](CC1OC(C)(C)O[C@@H]12)[C@H]3C
InChIInChI=1S/C14H18O5/c1-6-8-5-9-11(19-13(3,4)18-9)14(6)10(17-8)7(2)16-12(14)15/h6,8-11H,2,5H2,1,3-4H3/t6-,8+,9?,10-,11+,14-/m1/s1
InChIKeyDCWNOEXTQMVXFZ-QWEKDDIYSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium (ncbitaxon:78388) - PubMed (17393469)
ChEBI Ontology
Outgoing Relation(s)
Mabetaarilactone acetonide (CHEBI:222988) is a furofuran (CHEBI:47790)
IUPAC Name 
(1S,2R,8S,10S,14S)-4,4,14-trimethyl-11-methylidene-3,5,9,12-tetraoxatetracyclo[6.5.1.01,10.02,6]tetradecan-13-one
Manual XrefsDatabases
78442732ChemSpider