EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210011 - Thielavialide C

ChEBI IDCHEBI:210011
ChEBI NameThielavialide C
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-IOEYQFCTSA-N
Species of MetaboliteComponentSourceComments
Thielaviaspecies PA0001 (ncbitaxon:1511729) - PubMed (24882589)
ChEBI Ontology
Outgoing Relation(s)
Thielavialide C (CHEBI:210011) is a ketal (CHEBI:59777)
IUPAC Name 
(3S,6S,6'S,7S)-6,7-dihydroxy-6,6'-dimethylspiro[4,7-dihydro-1H-cyclopenta[c]pyran-3,2'-oxane]-5-one
Manual XrefsDatabases
78442624ChemSpider