EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69352 - mitchellene D

ChEBI IDCHEBI:69352
ChEBI Namemitchellene D
Stars
DefinitionA sesquiterpenoid isolated from the leaves of Eremophila mitchellii.
Last Modified7 September 2017
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILES[H][C@]12C=C(C(=O)O)CC[C@@]1([H])[C@@H](C)CC[C@]2([H])[C@@H](C)C(=O)O
InChIInChI=1S/C15H22O4/c1-8-3-5-12(9(2)14(16)17)13-7-10(15(18)19)4-6-11(8)13/h7-9,11-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t8-,9+,11-,12+,13-/m0/s1
InChIKeyKRUUDBOQHFKKKU-SNCMFLLNSA-N
Species of MetaboliteComponentSourceComments
Eremophila mitchellii (IPNI:585196-1) leaf (BTO:0000713) PubMed (21877688) n-Hexane,Methylene dichloride and methanolic extarct of airdried and ground leaves
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
mitchellene D (CHEBI:69352) has role plant metabolite (CHEBI:76924)
mitchellene D (CHEBI:69352) is a carbobicyclic compound (CHEBI:36785)
mitchellene D (CHEBI:69352) is a dicarboxylic acid (CHEBI:35692)
mitchellene D (CHEBI:69352) is a octahydronaphthalenes (CHEBI:138397)
mitchellene D (CHEBI:69352) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
rel-(4aS,5S,8S,8aS)-8-[(1R)-1-carboxyethyl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
Registry NumbersSources
Reaxys:21902567Reaxys
Citations