LMPK12070056
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0            999 V2000
    8.6860   -5.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860   -6.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161   -6.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460   -6.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460   -5.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161   -4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758   -6.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0058   -6.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0058   -5.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758   -4.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8354   -6.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8354   -7.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7228   -8.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6101   -7.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6101   -6.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7228   -6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758   -7.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562   -4.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4401   -6.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4401   -8.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5011   -5.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5933   -7.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3060   -7.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
 15 19  1  0     0  0
 14 20  1  0     0  0
  8 21  1  6     0  0
  7 22  1  6     0  0
 20 23  1  0     0  0
M  END
> <LM_ID>
LMPK12070056

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FPPWIEZFMZZUPL-ZBEGNZNMSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3([H])C4C=C(O)C(OC)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033291

> <CHEBI_ID>
174726

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24882408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071200

> <CITATION>
-

$$$$