LMPK12070105
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0            999 V2000
    9.2701   -6.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701   -7.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0975   -7.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9251   -7.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9251   -6.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0975   -5.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7526   -7.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5801   -7.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5801   -6.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7526   -5.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4073   -7.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4073   -8.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2921   -9.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1768   -8.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1768   -7.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2921   -7.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7526   -8.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044   -9.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0975   -8.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4425   -5.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4425   -4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1005   -6.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1429   -7.9128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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
 14 18  1  0     0  0
 12 17  1  0     0  0
  3 19  1  0     0  0
  1 20  1  0     0  0
  8 22  1  6     0  0
  7 23  1  6     0  0
M  END
> <LM_ID>
LMPK12070105

> <COMMON_NAME>
Desmocarpin

> <SYSTEMATIC_NAME>
(6aR,11aR)-1,9-Dihydroxy-3-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEVPCLOHVKGGEZ-MEDUHNTESA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0138507

> <CHEBI_ID>
178309

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185161

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 670324

> <CITATION>
-

$$$$