LMPK12070142
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.1679   -5.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1679   -6.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9684   -6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7689   -6.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7689   -5.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9684   -5.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694   -6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3701   -6.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3700   -5.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694   -5.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1702   -6.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1702   -7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0261   -8.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8820   -7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8820   -6.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0261   -6.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5777   -7.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6987   -8.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0261   -9.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0261   -5.4362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513   -5.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4853   -5.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1601   -4.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0     0  0
 20 23  1  0     0  0
M  END
> <LM_ID>
LMPK12070142

> <COMMON_NAME>
4-Deoxybryaquinone

> <SYSTEMATIC_NAME>
4-Deoxy-3,7-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-9,10-dione

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BHZXRJHCYGESDJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-8-3-4-9-12(5-8)22-7-10-14-13(21-2)6-11(18)15(19)17(14)23-16(9)10/h3-6H,7H2,1-2H3

> <SMILES>
C1(OC)C=CC2C3OC4C(=O)C(=O)C=C(OC)C=4C=3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257495

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77267

> <CITATION>
-

$$$$