LMPK12070104
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0            999 V2000
    9.4736   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4736   -6.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2940   -6.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1145   -6.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1145   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2940   -4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9350   -6.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7556   -6.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7556   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9350   -4.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759   -6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759   -7.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4531   -8.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3304   -7.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3304   -6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4531   -6.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9437   -7.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530   -4.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   -6.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530   -6.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3588   -4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1510   -8.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1510   -6.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2049   -6.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2940   -7.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2716   -5.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440   -7.0936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4279   -8.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 27  1  0  0  0  0
 15 25  1  0  0  0  0
  8 28  1  6     0  0
  7 29  1  6     0  0
 27 30  1  0     0  0
M  END
> <LM_ID>
LMPK12070104

> <COMMON_NAME>
Desmodin

> <SYSTEMATIC_NAME>
(7aR,12aalpha)-7a,12a-Dihydro-9,13-dimethoxy-3,3-dimethyl-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-10-ol

> <FORMULA>
C22H22O6

> <MASS>
382.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CEAWIMABVSITMV-YEJXKQKISA-N

> <INCHI>
InChI=1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3/t13-,21+/m0/s1

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1[C@]3([H])OC4=CC(O)=C(OC)C=C4[C@]3([H])COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140150

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13338926

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 670324

> <CITATION>
-

$$$$