CHEBI:69349 - mitchellene A

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ChEBI Name mitchellene A
ChEBI ID CHEBI:69349
Definition A sesquiterpene lactone 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 C15H20O3
Net Charge 0
Average Mass 248.31750
Monoisotopic Mass 248.14124
InChI InChI=1S/C15H20O3/c1-7-8-5-6-15(2,17)10-4-3-9-12(11(8)10)13(7)18-14(9)16/h3,7-8,10-13,17H,4-6H2,1-2H3/t7-,8-,10-,11-,12+,13-,15-/m1/s1
InChIKey FPWZOYNGIYQUAS-AYTANIIVSA-N
SMILES C[C@@H]1[C@H]2CC[C@@](C)(O)[C@@H]3CC=C4[C@H]([C@@H]1OC4=O)[C@H]23
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
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 A (CHEBI:69349) has role plant metabolite (CHEBI:76924)
mitchellene A (CHEBI:69349) is a organic heterotetracyclic compound (CHEBI:38163)
mitchellene A (CHEBI:69349) is a sesquiterpene lactone (CHEBI:37667)
mitchellene A (CHEBI:69349) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
rel-(4aR,5R,7aS,8R,8aR,8bR,8cS)-5-hydroxy-5,8-dimethyl-4,4a,5,6,7,7a,8,8a,8b,8c-decahydro-2H-acenaphtho[1,8-bc]furan-2-one
Registry Number Type Source
21902565 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21877688 PubMed citation Europe PMC
Last Modified
15 January 2014