LMPK12130064
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.3473    7.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5864    8.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4800    6.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1748    6.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901    7.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9496    8.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9585    8.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8633    7.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9833    8.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233    9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1060    8.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711    8.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537    9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711   10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1060   10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754    8.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4962    6.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7169    7.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5986    8.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4978    9.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    9.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9247   10.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  7 10  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130064

> <COMMON_NAME>
Castillene D

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

> <FORMULA>
C19H14O6

> <MASS>
338.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HNGNYODKSMNHQW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H14O6/c1-21-19(9-11-2-4-15-16(8-11)24-10-23-15)18(20)13-3-5-14-12(6-7-22-14)17(13)25-19/h2-8H,9-10H2,1H3

> <SMILES>
C12C(=O)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>
180424

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1959022

> <CITATION>
-

$$$$