CHEBI:192352 - anisotanol B

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ChEBI Name anisotanol B
ChEBI ID CHEBI:192352
Definition A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H22O3
Net Charge 0
Average Mass 238.327
Monoisotopic Mass 238.15689
InChI InChI=1S/C14H22O3/c1-7(2)13(17)5-10-9-4-11(15)12(16)8(3)14(9,10)6-13/h8-12,15-17H,1,4-6H2,2-3H3/t8-,9-,10-,11-,12-,13+,14-/m1/s1
InChIKey WHNDWWLCEPISQJ-ULUKPVBVSA-N
SMILES [H][C@]12C[C@](O)(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(C)=C
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 B (CHEBI:192352) has role plant metabolite (CHEBI:76924)
anisotanol B (CHEBI:192352) is a carbotricyclic compound (CHEBI:38032)
anisotanol B (CHEBI:192352) is a sesquiterpenoid (CHEBI:26658)
anisotanol B (CHEBI:192352) is a tertiary allylic alcohol (CHEBI:134397)
anisotanol B (CHEBI:192352) is a triol (CHEBI:27136)
IUPAC Name
(2S,3aR,3bR,5R,6R,7S,7aR)-7-methyl-2-(prop-1-en-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene-2,5,6-triol
Last Modified
07 June 2022