LMPK12070128
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    8.3537   -7.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9261   -7.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201   -7.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3419   -6.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695   -6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7754   -6.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3359   -6.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7578   -5.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854   -5.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1912   -5.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0658   -7.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9385   -6.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7480   -5.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8819   -7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6351   -6.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4447   -5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011   -5.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1959   -4.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0685   -7.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3575   -7.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5806   -6.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  8 18  1  6  0  0  0
  7 19  1  6  0  0  0
  1 20  1  0     0  0
 15 21  1  0     0  0
M  END
> <LM_ID>
LMPK12070128

> <COMMON_NAME>
(-)-Glycinol

> <SYSTEMATIC_NAME>
3,6a,9-Trihydroxypterocarpan

> <FORMULA>
C15H12O5

> <MASS>
272.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QMXOFBXZEKTJIK-LSDHHAIUSA-N

> <INCHI>
InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1

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

> <KEGG_ID>
C01263

> <HMDB_ID>
-

> <CHEBI_ID>
15649

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
16662068

$$$$