CHEBI:74113 - 1-epi-tatridin B

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ChEBI Name 1-epi-tatridin B
ChEBI ID CHEBI:74113
ChEBI ASCII Name 1-epi-tatridin B
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H20O4
Net Charge 0
Average Mass 264.31690
Monoisotopic Mass 264.13616
InChI InChI=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
InChIKey KNEQPJSDSYNUHP-YWKGGISCSA-N
SMILES [H][C@]12CC(=C)[C@@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-epi-tatridin B (CHEBI:74113) has role metabolite (CHEBI:25212)
1-epi-tatridin B (CHEBI:74113) is a γ-lactone (CHEBI:37581)
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)
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 Sources
1α-hydroxy-1-desoxotamirin ChEBI
tanachin ChEBI
Registry Number Type Source
3555710 Reaxys Registry Number Reaxys
Last Modified
28 June 2013
General Comment
2013-06-13 For isolation from Tanacetum vlugare, see Sanz., J.F. and Marco, J.A., J. Nat. Prod., 1991, 54(2), 591-596.