CHEBI:69352 - mitchellene D

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ChEBI Name mitchellene D
ChEBI ID CHEBI:69352
Definition A sesquiterpenoid isolated from the leaves of Eremophila mitchellii.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H22O4
Net Charge 0
Average Mass 266.33280
Monoisotopic Mass 266.15181
InChI InChI=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
InChIKey KRUUDBOQHFKKKU-SNCMFLLNSA-N
SMILES C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(=C[C@H]12)C(O)=O)C(O)=O
Metabolite of Species Details
Eremophila mitchellii (IPNI:585196-1) Found in leaf (BTO:0000713). n-Hexane,Methylene dichloride and methanolic extarct of airdried and ground leaves See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 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 Number Type Source
21902567 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21877688 PubMed citation Europe PMC
Last Modified
07 September 2017