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

ChEBI IDCHEBI:69354
ChEBI Name14-hydroxy-6,12-muuroloadien-15-oic acid
Stars
DefinitionA sesquiterpenoid isolated from the leaves of Eremophila mitchellii.
Last Modified7 September 2017
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@]12C=C(C(=O)O)CC[C@@]1([H])[C@@H](C)CC[C@]2([H])C(=C)CO
InChIInChI=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
InChIKeyJSCXVSJJZJIGJC-WTDIUWLJSA-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)
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 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)
14-hydroxy-6,12-muuroloadien-15-oic acid (CHEBI:69354) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
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 NumbersSources
Reaxys:22617080Reaxys
Citations