CDK     1023151745

 15 14  0  0  0  0  0  0  0  0999 V2000
    3.2083    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023   -0.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845    0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550   -0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2121    1.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -0.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2051   -1.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    0.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050   -1.0186    0.0000 O   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 
  1 11  2  0  0  0  0 
  1 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
  2 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:89312

> <NAME>
2-Hydroxydecanedioic acid

> <STAR>
2

> <SYNONYM>
alpha-Hydroxysebasic acid; alpha-Hydroxysebasate; a-Hydroxysebasic acid; a-Hydroxysebasate; 2-Hydroxysebacic acid; 2-Hydroxysebacate; 2-hydroxydecanedioic acid; 2-Hydroxydecanedioate; 2-Hydroxy-Decandioic acid; 2-Hydroxy-Decandioate

> <FORMULA>
C10H18O5

> <MASS>
218.247

> <MONOISOTOPIC_MASS>
218.11542

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)

> <INCHIKEY>
LPIOYESQKJFWPQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
103963-71-9

> <PUBMED_CITATION>
11978597; 12860034; 14605504; 2194543; 2943344

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