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CHEBI:192354 - anisotanol D

ChEBI IDCHEBI:192354
ChEBI Nameanisotanol D
Stars
DefinitionA norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
Last Modified7 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILES[H][C@]12C/C(=C(/C)CO)C[C@]13[C@H](C)[C@@H](O)[C@H](O)C[C@]23[H]
InChIInChI=1S/C14H22O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h8,10-13,15-17H,3-6H2,1-2H3/b9-7+/t8-,10-,11-,12-,13-,14+/m1/s1
InChIKeyPAYICKLNJFPNFZ-HUZCRVAWSA-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 D (CHEBI:192354) has role plant metabolite (CHEBI:76924)
anisotanol D (CHEBI:192354) is a carbotricyclic compound (CHEBI:38032)
anisotanol D (CHEBI:192354) is a primary allylic alcohol (CHEBI:134394)
anisotanol D (CHEBI:192354) is a sesquiterpenoid (CHEBI:26658)
anisotanol D (CHEBI:192354) is a triol (CHEBI:27136)
IUPAC Name 
(2E,3aR,3bR,5R,6R,7S,7aS)-2-(1-hydroxypropan-2-ylidene)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene-5,6-diol