-OEChem-06231013072D

 14 15  0     0  0  0  0  0  0999 V2000
    1.5000   -1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2897   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
171063

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
017598026

> <PUBCHEM_SUBSTANCE_COMMENT>
Tumor data

> <PUBCHEM_SUBSTANCE_SYNONYM>
17598-02-6
2,2-Dimethyl-7-methoxy-2H-1-benzopyran
2H-1-Benzopyran, 2,2-dimethyl-7-methoxy-
2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-
5-17-04-00270 (Beilstein Handbook Reference)
6-Demethoxyageratochromene
7-Methoxy-2,2-dimethylchromene
AI3-36846
BRN 0133917
Demethoxyageratochromene
EINECS 241-566-0
NSC 318791
PRICOCENE I
Precocene 1
Precocene I

> <PUBCHEM_GENERIC_REGISTRY_NAME>
17598-02-6

> <PUBCHEM_XREF_EXT_ID>
017598026

> <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=017598026

> <PUBCHEM_CID_ASSOCIATIONS>
28619  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$