CHEBI:192351 - anisotanol A

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ChEBI Name anisotanol A
ChEBI ID CHEBI:192351
Definition A norsesquiterpenoid with formula C14H24O3. It is isolated from Anisodus tanguticus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H24O3
Net Charge 0
Average Mass 240.343
Monoisotopic Mass 240.17254
InChI InChI=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
InChIKey XUCHDVXJYVNFQZ-CCPPYFBGSA-N
SMILES [H][C@]12C[C@]([H])(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])[C@@H](C)CO
Metabolite of Species Details
Anisodus tanguticus (NCBI:txid243964) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
07 June 2022