Marvin  09150600092D          

 12 12  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  9  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <ID>
CHEBI:15421

> <NAME>
perillyl aldehyde

> <DEFINITION>
An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14773; CHEBI:8023; CHEBI:25938

> <SYNONYM>
perillylaldehyde; perillyl aldehyde; Perillyl aldehyde; perillic aldehyde; Perillaldehyde; perillal; p-mentha-1,8-dien-7-al; 4-(1-methylethenyl)-1-cyclohexene1-carboxyaldehyde

> <IUPAC_NAME>
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

> <FORMULA>
C10H14O

> <MASS>
150.21756

> <MONOISOTOPIC_MASS>
150.10447

> <CHARGE>
0

> <SMILES>
[H]C(=O)C1=CCC(CC1)C(C)=C

> <INCHI>
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

> <INCHIKEY>
RUMOYJJNUMEFDD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2111-75-3

> <CHEMIDPLUS>
2111-75-3

> <KEGG_COMPOUND_ACCESSION>
C02576

> <KNAPSACK_ACCESSION>
C00003050

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090010

> <NIST_CHEMISTRY_WEBBOOK>
2111-75-3

> <PUBMED_CITATION>
23413567

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