Terminology Service for NFDI4Health
JSON

tschimganine

Go to external page http://purl.obolibrary.org/obo/CHEBI_142517

A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of (-)-borneol. A metabolite isolated from Ferula dissecta.

Term info

Label

tschimganine

Synonyms
  • (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate
  • tschimganine
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate [ IUPAC ]

charge

0

formula

C18H24O4

has obo namespace

chebi_ontology

has related synonym

tschimganin, chimganin

id

CHEBI:142517

inchi

InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m0/s1

inchikey

KTOAGBIQQPGNIR-WBHUJUFNSA-N

mass

304.381

monoisotopicmass

304.16746

smiles

C(C1=CC(=C(C=C1)O)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H]