LMPK12070046
  LIPID_MAPS_STRUCTURE_DATABASE

 26 31  0  0  0  0  0  0  0  0999 V2000
    7.7807    9.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7807    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    7.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4278    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4278    9.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2514    7.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749    9.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2514    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8982    7.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8982    6.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7786    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6592    6.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6592    7.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7786    8.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2599    6.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   10.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7807   10.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   10.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   11.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6261    6.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2238    7.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6261    7.8999    0.0000 O   0  0  0  0  0  0  0  0  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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 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
M  END
> <LM_ID>
LMPK12070046

> <COMMON_NAME>
Leiocarpin

> <SYSTEMATIC_NAME>
(6aS)-6abeta,12abeta-Dihydro-2,2-dimethyl-2H,6H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran

> <FORMULA>
C21H18O5

> <MASS>
350.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PAAJONLTKBLVPE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O5/c1-21(2)6-5-11-15(26-21)4-3-12-19(11)22-9-14-13-7-17-18(24-10-23-17)8-16(13)25-20(12)14/h3-8,14,20H,9-10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OCC3C4=CC5OCOC=5C=C4OC3C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14608889

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53829

> <CITATION>
-

$$$$