-OEChem-08021211332D

 12 11  0     1  0  0  0  0  0999 V2000
   -1.5288   -1.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226   -4.8728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -4.8728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -2.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347    0.0565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3347   -3.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405    1.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8042    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405    4.8727    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>
24860103

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
333115_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Hydroxy-2-isopropylsuccinic acid
2-Isopropylmalic acid
333115_ALDRICH

> <PUBCHEM_XREF_EXT_ID>
333115_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/333115?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
77  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$