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CHEBI:199975 - Thielavialide D

ChEBI IDCHEBI:199975
ChEBI NameThielavialide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESC[C@H]1CCC[C@@]2(CC3=C(CO2)C(=O)[C@](C)(O)C3=O)O1
InChIInChI=1S/C14H18O5/c1-8-4-3-5-14(19-8)6-9-10(7-18-14)12(16)13(2,17)11(9)15/h8,17H,3-7H2,1-2H3/t8-,13+,14-/m0/s1
InChIKeyBUUQIDZEVQVFNH-PCTYZZJISA-N
Species of MetaboliteComponentSourceComments
Thielaviaspecies PA0001 (ncbitaxon:1511729) - PubMed (24882589)
ChEBI Ontology
Outgoing Relation(s)
Thielavialide D (CHEBI:199975) is a ketal (CHEBI:59777)
IUPAC Name 
(3S,6R,6'S)-6-hydroxy-6,6'-dimethylspiro[1,4-dihydrocyclopenta[c]pyran-3,2'-oxane]-5,7-dione
Manual XrefsDatabases
78442498ChemSpider