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CHEBI:171712 - Tanacetol B

ChEBI IDCHEBI:171712
ChEBI NameTanacetol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O4
Net Charge0
Average Mass296.407
Monoisotopic Mass296.19876
SMILES[H][C@@]1(C(C)(C)O)CC/C(C)=C/[C@H](OC(C)=O)CC(=C)[C@@H](O)C1
InChIInChI=1S/C17H28O4/c1-11-6-7-14(17(4,5)20)10-16(19)12(2)9-15(8-11)21-13(3)18/h8,14-16,19-20H,2,6-7,9-10H2,1,3-5H3/b11-8+/t14-,15+,16+/m1/s1
InChIKeyWAGDOKQHNWIHJF-UHITTWDOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Tanacetol B (CHEBI:171712) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
[(1R,2E,6R,8S)-8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl] acetate
Manual XrefsDatabases
4572785ChemSpider
Registry NumbersSources
CAS:86787-28-2ChemIDplus