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CHEBI:69353 - mitchellene E

ChEBI IDCHEBI:69353
ChEBI Namemitchellene E
Stars
DefinitionA sesquiterpenoid isolated from the leaves of Eremophila mitchellii.
Last Modified7 September 2017
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@]12C=C(CO)CC[C@@]1([H])[C@@H](C)CC[C@]2([H])[C@@H](C)C(=O)O
InChIInChI=1S/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10+,12-,13+,14-/m0/s1
InChIKeyJTUOWRWJSXCKMC-DKUYFVBVSA-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 E (CHEBI:69353) has role plant metabolite (CHEBI:76924)
mitchellene E (CHEBI:69353) is a carbobicyclic compound (CHEBI:36785)
mitchellene E (CHEBI:69353) is a hydroxy monocarboxylic acid (CHEBI:35868)
mitchellene E (CHEBI:69353) is a octahydronaphthalenes (CHEBI:138397)
mitchellene E (CHEBI:69353) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
rel-(2R)-2-[(1S,4S,4aS,8aS)-7-(hydroxymethyl)-4-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
Registry NumbersSources
Reaxys:21902564Reaxys
Citations