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CHEBI:201966 - Thielavialide A

ChEBI IDCHEBI:201966
ChEBI NameThielavialide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESC[C@H]1CCC[C@@]2(CC3=C(CO2)[C@@H](O)[C@](C)(O)C3=O)O1
InChIInChI=1S/C14H20O5/c1-8-4-3-5-14(19-8)6-9-10(7-18-14)12(16)13(2,17)11(9)15/h8,12,16-17H,3-7H2,1-2H3/t8-,12+,13+,14-/m0/s1
InChIKeyUOOOPJKFPIXGCM-IYMWITQMSA-N
Species of MetaboliteComponentSourceComments
Thielaviaspecies PA0001 (ncbitaxon:1511729) - PubMed (24882589)
ChEBI Ontology
Outgoing Relation(s)
Thielavialide A (CHEBI:201966) is a ketal (CHEBI:59777)
IUPAC Name 
(3S,6S,6'S,7R)-6,7-dihydroxy-6,6'-dimethylspiro[4,7-dihydro-1H-cyclopenta[c]pyran-3,2'-oxane]-5-one
Manual XrefsDatabases
78442537ChemSpider