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CHEBI:74113 - 1-epi-tatridin B

ChEBI IDCHEBI:74113
ChEBI Name1-epi-tatridin B
Stars
ASCII Name1-epi-tatridin B
DefinitionA germacrane sesquiterpenoid found in Tanacetum vulgare, Anthemis altissima and Anthemis melanolepsis that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14.
Last Modified28 June 2013
SubmitterGareth Owen
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-/m0/s1
InChIKeyKNEQPJSDSYNUHP-YWKGGISCSA-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)
1-epi-tatridin B (CHEBI:74113) has role metabolite (CHEBI:25212)
1-epi-tatridin B (CHEBI:74113) is a diol (CHEBI:23824)
1-epi-tatridin B (CHEBI:74113) is a germacrane sesquiterpenoid (CHEBI:68588)
1-epi-tatridin B (CHEBI:74113) is a organic heterobicyclic compound (CHEBI:27171)
1-epi-tatridin B (CHEBI:74113) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,4R,5E,9S,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
1α-hydroxy-1-desoxotamirinChEBI
tanachinChEBI
Registry NumbersSources
Reaxys:3555710Reaxys