Ketcher 08191511512D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
   11.1824   -4.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9145   -5.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9145   -4.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1824   -5.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485   -4.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485   -3.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1824   -7.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485   -7.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9145   -7.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485   -6.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9145   -8.9153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7806   -7.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  4  1  0     0  0
  1  4  1  0     0  0
  2 10  1  0     0  0
  5  1  2  0     0  0
  3  2  1  0     0  0
  3  5  1  0     0  0
 10  8  1  0     0  0
  5  6  1  0     0  0
  8  7  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
  9 12  2  0     0  0
M  END
> <ID>
CHEBI:87568

> <NAME>
1-p-menth-1-ene-9-al

> <DEFINITION>
A monoterpenoid that is propanal substituted by a 4-methylcyclohex-3-en-1-yl group at position 2.

> <STAR>
3

> <SYNONYM>
alpha,4-dimethyl-3-cyclohexene-1-acetaldehyde

> <IUPAC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propanal

> <FORMULA>
C10H16O

> <MASS>
152.23340

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

> <SMILES>
CC(C=O)C1CCC(C)=CC1

> <INCHI>
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3

> <INCHIKEY>
UMEJBWOWZDRULR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
29548-14-9

> <REAXYS_REGISTRY_NUMBER>
2206739

> <CHEMIDPLUS>
29548-14-9

> <NIST_CHEMISTRY_WEBBOOK>
29548-14-9

> <AGRICOLA_CITATION>
IND43850344

$$$$