-OEChem-03101014052D

 14 14  0     1  0  0  0  0  0999 V2000
    6.6006   -7.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619   -4.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -8.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8885   -4.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   -5.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856   -7.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -5.3909    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8856   -6.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -7.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619   -6.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619   -7.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8885   -4.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24277743

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
H0131_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
DL-4-Hydroxy-3-methoxymandelic acid
H0131_SIGMA
VMA
Vanillomandelic acid
Vanillylmandelic acid
Vanilmandelic acid
alpha,4-Dihydroxy-3-methoxybenzeneacetic acid

> <PUBCHEM_XREF_EXT_ID>
H0131_SIGMA

> <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/SIGMA/H0131?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
1245  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$