Mrv0541 01131512292D          

 11 10  0  0  0  0            999 V2000
    9.9721   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2578   -3.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2581   -4.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6870   -4.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9726   -4.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5431   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8289   -3.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5438   -4.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8291   -4.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6870   -3.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4018   -4.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <ID>
CHEBI:84268

> <NAME>
nonanal

> <DEFINITION>
A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism.

> <STAR>
3

> <SYNONYM>
pelargonic aldehyde; pelargonaldehyde; nonylic aldehyde; nonylaldehyde; nonyl aldehyde; nonanoic aldehyde; nonanal; n-nonaldehyde

> <IUPAC_NAME>
nonanal

> <FORMULA>
C9H18O

> <MASS>
142.23860

> <MONOISOTOPIC_MASS>
142.13577

> <CHARGE>
0

> <SMILES>
CCCCCCCCC=O

> <INCHI>
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

> <INCHIKEY>
GYHFUZHODSMOHU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
124-19-6

> <REAXYS_REGISTRY_NUMBER>
1236701

> <CHEMIDPLUS>
124-19-6

> <KNAPSACK_ACCESSION>
C00030828

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA06000040

> <METACYC_ACCESSION>
CPD-8491

> <NIST_CHEMISTRY_WEBBOOK>
124-19-6

> <WIKIPEDIA_ACCESSION>
Nonanal

> <PUBMED_CITATION>
25172748; 25466114; 25518943

$$$$