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CHEBI:134189 - spirolaurenone
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ChEBI Name
spirolaurenone
ChEBI ID
CHEBI:134189
Definition
A spirocyclic sesquiterpenoid that is isolated from the red alga
Laurencia glandulifera
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H23BrO
Net Charge
0
Average Mass
299.247
Monoisotopic Mass
298.09323
InChI
InChI=1S/C15H23BrO/c1-
10-
5-
6-
13(16)
14(3,4)
15(10)
8-
7-
12(9-
15)
11(2)
17/h5,12-
13H,6-
9H2,1-
4H3/t12-
,13-
,15+/m1/s1
InChIKey
BLWJAUBTYPWLDO-NFAWXSAZSA-N
SMILES
C1[C@H](C([C@@]2(C(=C1)C)CC[C@H](C2)C(C)=O)(C)C)Br
Metabolite of Species
Details
Laurencia filiformis
(NCBI:txid110462)
See: Polonsky, J. Am. Chem. Soc., 100, (1978), 2575
Apis cerana
(NCBI:txid7461)
See:
MetaboLights Study
Laurencia glandulifera
(WORMS:144822)
See:
DOI
Roles Classification
Biological Role
(s):
algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
spirolaurenone (
CHEBI:134189
)
has role
algal metabolite (
CHEBI:84735
)
spirolaurenone (
CHEBI:134189
)
is a
methyl ketone (
CHEBI:51867
)
spirolaurenone (
CHEBI:134189
)
is a
olefinic compound (
CHEBI:78840
)
spirolaurenone (
CHEBI:134189
)
is a
organobromine compound (
CHEBI:37141
)
spirolaurenone (
CHEBI:134189
)
is a
sesquiterpenoid (
CHEBI:26658
)
spirolaurenone (
CHEBI:134189
)
is a
spiro compound (
CHEBI:33599
)
IUPAC Name
1-[(2
R
,5
S
,9
R
)-9-bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl]ethan-1-one
Synonym
Source
1-(9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl)ethanone
ChEBI
Manual Xrefs
Databases
10470563
ChemSpider
C00021718
KNApSAcK
C17114
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
30925-25-8
CAS Registry Number
KEGG COMPOUND
5012098
Reaxys Registry Number
Reaxys
Last Modified
03 May 2019