-OEChem-04131210272D

 17 18  0     1  0  0  0  0  0999 V2000
    4.4333    0.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -2.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8768    2.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -0.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955   -0.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    2.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746   -0.9122    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9761   -1.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
135077846

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
0028052848

> <PUBCHEM_SUBSTANCE_SYNONYM>
28052-84-8
DL-5-Methoxytryptophan
DL-Tryptophan, 5-methoxy-
EINECS 248-800-0

> <PUBCHEM_GENERIC_REGISTRY_NAME>
28052-84-8

> <PUBCHEM_XREF_EXT_ID>
0028052848

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=0028052848

> <PUBCHEM_CID_ASSOCIATIONS>
119802  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$