LMPK12070124
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.7946   10.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7946    9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509    8.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5072    9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5072   10.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509   10.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3636    8.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201    9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201   10.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3636   10.6466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733   10.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524   10.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524    9.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733    8.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5692    7.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5527    7.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9550    8.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1341    6.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1173    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5196    7.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9386    8.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6986    6.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4026    9.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5909    7.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3989   10.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  2  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
  8 23  1  6  0  0  0
  7 24  1  6  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070124

> <COMMON_NAME>
(-)-Glyceollin II

> <SYSTEMATIC_NAME>
(7aS,12aS)-3,3-Dimethyl-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7a,10(12aH)-diol

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDJVLBCETGUEBO-AZUAARDMSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C=C1[C@]3([H])OC4C=C(O)C=CC=4[C@]3(O)COC1=C2

> <KEGG_ID>
C10422

> <HMDB_ID>
-

> <CHEBI_ID>
52127

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
181883

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$