LMPK12070143
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.1520   -5.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1520   -6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9570   -6.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7620   -6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7620   -5.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9570   -5.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669   -6.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3719   -6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3719   -5.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669   -5.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1766   -6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1766   -7.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372   -8.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980   -7.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980   -6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372   -6.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5753   -7.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7031   -8.3389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372   -9.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9570   -4.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469   -5.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372   -5.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   -5.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1713   -4.9537    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
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0     0  0
 22 24  1  0     0  0
M  END
> <LM_ID>
LMPK12070143

> <COMMON_NAME>
Bryaquinone

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

> <FORMULA>
C17H12O7

> <MASS>
328.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GRCODZNXJRUTGU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O7/c1-21-10-4-3-7-15-8(6-23-16(7)14(10)20)12-11(22-2)5-9(18)13(19)17(12)24-15/h3-5,20H,6H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257496

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77267

> <CITATION>
-

$$$$