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ChEBI
> Main
CHEBI:55349 - deacetyllaurenobiolide
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ChEBI Ontology
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ChEBI Name
deacetyllaurenobiolide
ChEBI ID
CHEBI:55349
Definition
A germacranolide derived from laurenobiolide by deacetylation.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C15H20O3
Net Charge
0
Average Mass
248.31750
Monoisotopic Mass
248.14124
InChI
InChI=1S/C15H20O3/c1-
9-
5-
4-
6-
10(2)
8-
13-
14(12(16)
7-
9)
11(3)
15(17)
18-
13/h6-
7,12-
14,16H,3-
5,8H2,1-
2H3/b9-
7+,10-
6+/t12-
,13?,14?/m0/s1
InChIKey
FRDLPOYYWWRSPZ-MCHJIZRYSA-N
SMILES
C\C1=C/CC\C(C)=C\[C@H](O)C2C(C1)OC(=O)C2=C
Roles Classification
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
deacetyllaurenobiolide (
CHEBI:55349
)
has functional parent
laurenobiolide (
CHEBI:6390
)
deacetyllaurenobiolide (
CHEBI:55349
)
has role
allergen (
CHEBI:50904
)
deacetyllaurenobiolide (
CHEBI:55349
)
has role
metabolite (
CHEBI:25212
)
deacetyllaurenobiolide (
CHEBI:55349
)
is a
germacranolide (
CHEBI:73011
)
IUPAC Name
(4
S
,5
E
,9
E
)-
4-
hydroxy-
6,10-
dimethyl-
3-
methylidene-
3a,4,7,8,11,11a-
hexahydrocyclodeca[
b
]furan-
2(3
H
)-
one
Synonym
Source
deacetyl laurenobiolide
ChEBI
Registry Number
Type
Source
6999911
Beilstein Registry Number
Beilstein
Citations
Types
Sources
15587709
PubMed citation
Europe PMC
21678158
PubMed citation
Europe PMC
6476889
PubMed citation
Europe PMC
Last Modified
24 September 2014