-OEChem-08021211332D

 12 11  0     1  0  0  0  0  0999 V2000
   -0.0833   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -3.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0833   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
841567

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BIND

> <PUBCHEM_EXT_DATASOURCE_REGID>
1084

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Hydroxy-2-(1-methylethyl)butanedioic acid
2-hydroxy-2-isopropylsuccinic acid
2-isopropylmalic acid
3-carboxy-3-hydroxy-4-methylpentanoate
3-carboxy-3-hydroxyisocaproic acid
3-hydroxy-4-methyl-3-carboxypentanoate
3-isopropylmalate
3237-44-3
alpha-isopropylmalate
alpha-isopropylmalic acid
butanedioic acid, 2-hydroxy-2-(1-methylethyl)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3237-44-3

> <PUBCHEM_XREF_EXT_ID>
1084

> <PUBCHEM_PUBMED_ID>
15159590

> <PUBCHEM_EXT_DATASOURCE_URL>
http://bind.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bind.ca/Action?pg=3001&butval=search&identifier=smallmoleculeid&searchterm=1084

> <PUBCHEM_CID_ASSOCIATIONS>
77  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$