LMPK12080053
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5487    8.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648    7.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    8.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648    9.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9970    7.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131    8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131    8.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9970    9.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292    7.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292    6.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5018    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    6.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    7.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5018    8.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131    6.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1906    8.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648   10.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6353   11.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1906    6.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4612    6.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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  1  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  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
 12 17  2  0  0  0  0
  1 18  1  0  0  0  0
 15 19  2  0  0  0  0
 14 22  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080053

> <COMMON_NAME>
Mucroquinone

> <SYSTEMATIC_NAME>
7-Hydroxy-8,4'-dimethoxyisoflavanquinone

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BCRMQBPKTAFKBY-JTQLQIEISA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-15-7-13(19)11(6-14(15)20)10-5-9-3-4-12(18)17(22-2)16(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3/t10-/m0/s1

> <SMILES>
C1(O)C=CC2C[C@H](C3=CC(=O)C(OC)=CC3=O)COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186186

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257519

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53897

> <CITATION>
-

$$$$