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.
Supplier Information
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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.
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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-[(2R,5S,9R)-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
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Registry Numbers Types Sources
30925-25-8 CAS Registry Number KEGG COMPOUND
5012098 Reaxys Registry Number Reaxys
Last Modified
03 May 2019