CHEBI:173151 - Tanacetin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tanacetin
ChEBI ID CHEBI:173151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O4
Net Charge 0
Average Mass 264.321
Monoisotopic Mass 264.13616
InChI InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1
InChIKey CFUWPZZLCJXNSQ-XXUMUBMXSA-N
SMILES O1[C@@]2([C@]3(O)[C@@](CC[C@]2(C(C1=O)=C)[H])([C@H](O)CCC3=C)C)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Tanacetin (CHEBI:173151) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzouran-2-one
Manual Xref Database
16736051 ChemSpider
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Registry Number Type Source
1401-54-3 CAS Registry Number ChemIDplus