14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354)

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ChEBI Name	14-hydroxy-6,12-muuroloadien-15-oic acid

ChEBI ID	CHEBI:69354

Definition	A sesquiterpenoid isolated from the leaves of Eremophila mitchellii.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.33340

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-9-3-5-13(10(2)8-16)14-7-11(15(17)18)4-6-12(9)14/h7,9,12-14,16H,2-6,8H2,1H3,(H,17,18)/t9-,12-,13+,14-/m0/s1

InChIKey

JSCXVSJJZJIGJC-WTDIUWLJSA-N

SMILES

C[C@H]1CC[C@@H]([C@H]2C=C(CC[C@@H]12)C(O)=O)C(=C)CO

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.

ChEBI Ontology
Outgoing	14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) has role plant metabolite (CHEBI:76924) 14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) is a carbobicyclic compound (CHEBI:36785) 14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) is a hydroxy monocarboxylic acid (CHEBI:35868) 14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) is a octahydronaphthalenes (CHEBI:138397)

IUPAC Name

(4aS,5S,8S,8aR)-8-(3-hydroxyprop-1-en-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Registry Number	Type	Source
22617080	Reaxys Registry Number	Reaxys

Citation	Type	Source
21877688	PubMed citation	Europe PMC

Last Modified

07 September 2017