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CHEBI:192351 - anisotanol A

ChEBI IDCHEBI:192351
ChEBI Nameanisotanol A
Stars
DefinitionA norsesquiterpenoid with formula C14H24O3. It is isolated from Anisodus tanguticus.
Last Modified7 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H24O3
Net Charge0
Average Mass240.343
Monoisotopic Mass240.17254
SMILES[H][C@@]1([C@@H](C)CO)C[C@]2([H])[C@@]3([H])C[C@@H](O)[C@H](O)[C@@H](C)[C@]32C1
InChIInChI=1S/C14H24O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h7-13,15-17H,3-6H2,1-2H3/t7-,8+,9+,10+,11+,12+,13+,14-/m0/s1
InChIKeyXUCHDVXJYVNFQZ-CCPPYFBGSA-N
Species of MetaboliteComponentSourceComments
Anisodus tanguticus (ncbitaxon:243964) - DOI (10.1002/cjoc.202100524)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
anisotanol A (CHEBI:192351) has role plant metabolite (CHEBI:76924)
anisotanol A (CHEBI:192351) is a carbotricyclic compound (CHEBI:38032)
anisotanol A (CHEBI:192351) is a primary alcohol (CHEBI:15734)
anisotanol A (CHEBI:192351) is a sesquiterpenoid (CHEBI:26658)
anisotanol A (CHEBI:192351) is a triol (CHEBI:27136)
IUPAC Name 
(2R,3aR,3bR,5R,6R,7S,7aS)-2-[(2R)-1-hydroxypropan-2-yl]-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene-5,6-diol