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CHEBI:73239 - tatridin B

ChEBI IDCHEBI:73239
ChEBI Nametatridin B
Stars
DefinitionA germacrane sesquiterpenoid found Tanacetum vulgare that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14 and in which the hydroxy group at position 1 has epimerised from α- to β-.
Last Modified28 June 2013
Submittersjupe
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@@]12C(=C)C(=O)O[C@@]1([H])CC(=C)[C@H](O)CC/C(C)=C/[C@H]2O
InChIInChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1
InChIKeyKNEQPJSDSYNUHP-RFPYWGSLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tatridin B (CHEBI:73239) has role metabolite (CHEBI:25212)
tatridin B (CHEBI:73239) is a diol (CHEBI:23824)
tatridin B (CHEBI:73239) is a germacrane sesquiterpenoid (CHEBI:68588)
tatridin B (CHEBI:73239) is a organic heterobicyclic compound (CHEBI:27171)
tatridin B (CHEBI:73239) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,4R,5E,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-bis(methylene)-3a,4,7,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one
Synonyms  Source
tatridin-BChEBI
1β-hydroxy-1-desoxotamirinChEBI
Registry NumbersSources
Reaxys:4235530Reaxys
CAS:41653-76-3ChemIDplus