Ketcher 10261609262D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
   20.5650  -28.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5650  -29.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6989  -27.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6989  -29.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8330  -28.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8330  -29.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4310  -27.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2970  -28.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4309  -29.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2970  -29.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1630  -27.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1628  -29.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1689  -26.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  2  0     0  0
  9  2  1  0     0  0
 10  9  1  0     0  0
 11  8  1  0     0  0
 12 10  1  0     0  0
 11 13  2  0     0  0
M  END
> <ID>
CHEBI:133741

> <NAME>
(E)-dodec-2-enal

> <DEFINITION>
A trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde.

> <STAR>
3

> <SYNONYM>
trans-dodec-2-enal; trans-2-dodecenal; eryngial; (E)-dodec-2-en-1-al; (E)-2-dodecen-1-al; (2E)-dodecenal

> <IUPAC_NAME>
(2E)-dodec-2-enal

> <FORMULA>
C12H22O

> <MASS>
182.303

> <MONOISOTOPIC_MASS>
182.16707

> <CHARGE>
0

> <SMILES>
C(CCCCCCCC)/C=C/C=O

> <INCHI>
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+

> <INCHIKEY>
SSNZFFBDIMUILS-ZHACJKMWSA-N

> <CAS_REGISTRY_NUMBER>
20407-84-5

> <CHEMIDPLUS>
20407-84-5

> <NIST_CHEMISTRY_WEBBOOK>
20407-84-5

> <AGRICOLA_CITATION>
IND44119408; IND500604868; IND600802502

> <PUBMED_CITATION>
14194100; 15012807; 15161192; 15612802; 21062639; 24139239; 24243612; 25619643; 25870012; 26667677; 6483572

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