LMPK12070123
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.9647   10.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9563    9.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8126    8.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    9.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6849   10.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8287   10.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5329    8.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3974    9.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4054   10.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492   10.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7316    7.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7186    7.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    8.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2958    6.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2844    6.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6959    7.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1187    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8618    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7244    8.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3081    9.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8372   11.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9499   12.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0538   11.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   10.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5642   12.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7196    0.0000 C   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
 15 18  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  6  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070123

> <COMMON_NAME>
(-)-Glyceollin I

> <SYSTEMATIC_NAME>
(6aS,11aS)-2,2-Dimethyl-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YIFYYPKWOQSCRI-AZUAARDMSA-N

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

> <SMILES>
C12OC(C)(C)C=CC=1C1OC[C@@]3(O)C4C=CC(O)=CC=4O[C@@]3([H])C=1C=C2

> <KEGG_ID>
C01701

> <HMDB_ID>
-

> <CHEBI_ID>
16470

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162807

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$