LMPK12080051
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0            999 V2000
    8.3341   -5.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341   -6.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1650   -6.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959   -6.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959   -5.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1650   -4.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8268   -6.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578   -6.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578   -5.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8268   -4.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4887   -6.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4887   -7.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3770   -8.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2654   -7.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2654   -6.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3770   -6.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578   -8.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5031   -4.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0965   -6.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0965   -8.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3900   -7.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  1     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  1  2  1  0     0  0
 12 17  2  0     0  0
  1 18  1  0     0  0
 15 19  2  0     0  0
 14 20  1  0     0  0
M  END
> <LM_ID>
LMPK12080051

> <COMMON_NAME>
(3R)-Claussequinone

> <SYSTEMATIC_NAME>
(3R)-7-Hydroxy-4'-methoxyisoflavanquinone

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDAKXMIQFUHWQC-JTQLQIEISA-N

> <INCHI>
InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3/t10-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177044

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
332771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 54884

> <CITATION>
-

$$$$