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ChEBI
> Main
CHEBI:69353 - mitchellene E
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ChEBI Ontology
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ChEBI Name
mitchellene E
ChEBI ID
CHEBI:69353
Definition
A sesquiterpenoid isolated from the leaves of
Eremophila mitchellii
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24O3
Net Charge
0
Average Mass
252.34930
Monoisotopic Mass
252.17254
InChI
InChI=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
InChIKey
JTUOWRWJSXCKMC-DKUYFVBVSA-N
SMILES
C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(CO)=C[C@H]12)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 (Br
o
nsted 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 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
-
(2
R
)-
2-
[(1
S
,4
S
,4a
S
,8a
S
)-
7-
(hydroxymethyl)-
4-
methyl-
1,2,3,4,4a,5,6,8a-
octahydronaphthalen-
1-
yl]propanoic acid
Registry Number
Type
Source
21902564
Reaxys Registry Number
Reaxys
Citation
Type
Source
21877688
PubMed citation
Europe PMC
Last Modified
07 September 2017