-OEChem-07221113212D

 19 20  0     1  0  0  0  0  0999 V2000
   22.0772  -15.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3975  -15.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6056  -12.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6056  -16.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7745  -18.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2409  -15.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3975  -19.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8564  -12.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0141  -18.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4075  -14.8251    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.5829  -16.1743    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.6056  -15.5060    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.5829  -17.5489    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.7972  -14.8251    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3975  -18.2361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.7972  -13.4506    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1995  -17.5489    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.4075  -13.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1995  -16.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
 11  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 18  1  0  0  0  0
 12  4  1  1  0  0  0
 13  5  1  6  0  0  0
 14  6  1  6  0  0  0
 15  7  1  1  0  0  0
  8 16  1  0  0  0  0
 17  9  1  6  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4780

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01630

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 6860-47-5
NIKKAJI: J15.577B

> <PUBCHEM_SUBSTANCE_SYNONYM>
6860-47-5
C01630
Xylobiose

> <PUBCHEM_GENERIC_REGISTRY_NAME>
6860-47-5

> <PUBCHEM_XREF_EXT_ID>
C01630

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01630

> <PUBCHEM_CID_ASSOCIATIONS>
439538  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
10  1  6
11  1  5
12  4  5
13  5  6
14  6  6
15  7  5
17  9  6

$$$$