LMPK12070037
  LIPID_MAPS_STRUCTURE_DATABASE

 23 28  0  0  0  0  0  0  0  0999 V2000
    7.5221    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3446    7.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1670    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1670    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3446    9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9894    7.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8120    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8120    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9894    9.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6342    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6342    6.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5136    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3928    6.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3928    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5136    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    6.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3585    6.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9554    7.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3585    7.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    9.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    7.7650    0.0000 C   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
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070037

> <COMMON_NAME>
Neodulin

> <SYSTEMATIC_NAME>
6a,12aDihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c]furo[3,2-g][1]benzopyran

> <FORMULA>
C18H12O5

> <MASS>
308.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Edulin

> <INCHI_KEY>
VZDPNKZCXYBWLM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O5/c1-2-19-13-5-14-11(3-9(1)13)18-12(7-20-14)10-4-16-17(22-8-21-16)6-15(10)23-18/h1-6,12,18H,7-8H2

> <SMILES>
C12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187274

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$