LMPK12130063
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    9.2811    7.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    7.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6204    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4515    6.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1973    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1121    6.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1068    7.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8713    8.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000    8.8808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8841    8.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5113    9.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841    8.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9296    8.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4024    9.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9296   10.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841   10.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    8.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4873    6.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5624    7.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4262    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3275    9.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951    7.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0891    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0737    9.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8669   10.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  4  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130063

> <COMMON_NAME>
Castillene C

> <SYSTEMATIC_NAME>
2-[(1,3-Benzodioxol-5-yl)methyl]-2,3-dihydro-2,3-dimethoxybenzo[1,2-b:3,4-b']difuran

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UJWUVLDBYXPHQN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-21-19-14-4-6-15-13(7-8-23-15)18(14)26-20(19,22-2)10-12-3-5-16-17(9-12)25-11-24-16/h3-9,19H,10-11H2,1-2H3

> <SMILES>
C12C(OC)C(OC)(CC3C=CC4OCOC=4C=3)OC=1C1C=COC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14484594

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1959022

> <CITATION>
-

$$$$