LMPK12070101
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    8.6234    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6234    8.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    7.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    8.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    9.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    7.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8729    8.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8729    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    9.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6849    7.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6849    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5536    6.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4222    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4222    7.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5536    8.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0691    6.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8110    9.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9987    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9987    8.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8110    7.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5297    9.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    6.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2346    6.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4993    6.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  3 24  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070101

> <COMMON_NAME>
Edulenane

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O5

> <MASS>
366.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Edulaan

> <INCHI_KEY>
NURXAZUGLCCIRI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-10,15,21H,11H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C3OC4=CC(OC)=CC=C4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257474

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$