Mrv0541 11061311322D          

 34 33  0  0  0  0            999 V2000
    4.8995   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851   -4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7562   -4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272   -4.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016   -4.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161   -4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -4.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0427   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1861   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9005   -3.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1861   -2.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6140   -4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3284   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0428   -4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7572   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717   -4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1861   -4.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5307   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 34 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 10 34  1  0  0  0  0
M  END
> <ID>
CHEBI:76215

> <NAME>
dotriacontanoic acid

> <DEFINITION>
A straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.

> <STAR>
3

> <SYNONYM>
lacceroic acid; Lacceric acid; C32:0

> <IUPAC_NAME>
dotriacontanoic acid

> <FORMULA>
C32H64O2

> <MASS>
480.84940

> <MONOISOTOPIC_MASS>
480.49063

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)

> <INCHIKEY>
ICAIHSUWWZJGHD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3625-52-3

> <REAXYS_REGISTRY_NUMBER>
1715878

> <CHEMIDPLUS>
3625-52-3

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01010032

> <METACYC_ACCESSION>
CPD-8463

> <WIKIPEDIA_ACCESSION>
Lacceroic_acid

$$$$