CHEBI:141851 - (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde

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ChEBI Name (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde ChEBI ID CHEBI:141851 ChEBI ASCII Name (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde Definition A sesquiterpenoid that is (S)-β-macrocarpen-15-ol in which the hydroxy group has been oxidised to an aldehyde group. The second step in the biosynthesis of the sesquiterpene phytoalexin zealexin A1 from (S)-β-macrocarpene in maize. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H22O Net Charge 0 Average Mass 218.335 Monoisotopic Mass 218.16707 InChI InChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3/t13-/m1/s1 InChIKey FITVEUXUZLYLPG-CYBMUJFWSA-N SMILES C1(C=O)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H] ChEBI Ontology Outgoing (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) has functional parent (S)-β-macrocarpen-15-ol (CHEBI:141850) (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) is a aldehyde (CHEBI:17478) (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) is a sesquiterpenoid (CHEBI:26658) IUPAC Name (1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-diene]-4-carbaldehyde Synonyms Sources (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde UniProt (S)-β-macrocarpen-15-al ChEBI Manual Xref Database CPD-13627 MetaCyc View more database links Citation Type Source 26471326 PubMed citation SUBMITTER Last Modified 26 October 2018