LMPK12070103
  LIPID_MAPS_STRUCTURE_DATABASE

 28 33  0  0  0  0  0  0  0  0999 V2000
    8.6538    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4759    7.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2979    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2979    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4759    9.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1199    7.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9419    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9419    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1199    9.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7637    7.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7637    6.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6425    6.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5214    6.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5214    7.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6425    8.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1286    6.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8319    9.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8319    7.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353    9.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4866    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0831    7.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4866    7.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4759    6.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5317    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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  1  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070103

> <COMMON_NAME>
Neorautanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O6

> <MASS>
382.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QQYQFSONAPRYKI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O6/c1-22(2)5-4-11-15(28-22)8-18-19(20(11)23-3)21-13(9-24-18)12-6-16-17(26-10-25-16)7-14(12)27-21/h6-8,13,21H,4-5,9-10H2,1-3H3

> <SMILES>
C12OC(C)(C)CCC1=C(OC)C1C3OC4=CC5OCOC=5C=C4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10937817

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$