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CHEBI:202311 - Thielavialide B

ChEBI IDCHEBI:202311
ChEBI NameThielavialide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESC[C@H]1CCC[C@@]2(CC3=C(CO2)C(=O)[C@](C)(O)[C@@H]3O)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/h8,11,15,17H,3-7H2,1-2H3/t8-,11+,13+,14-/m0/s1
InChIKeyXXHYVIAFVXYMHA-RHBIEUIISA-N
Species of MetaboliteComponentSourceComments
Thielaviaspecies PA0001 (ncbitaxon:1511729) - PubMed (24882589)
ChEBI Ontology
Outgoing Relation(s)
Thielavialide B (CHEBI:202311) is a ketal (CHEBI:59777)
IUPAC Name 
(3S,5R,6R,6'S)-5,6-dihydroxy-6,6'-dimethylspiro[4,5-dihydro-1H-cyclopenta[c]pyran-3,2'-oxane]-7-one
Manual XrefsDatabases
78442544ChemSpider