LMPK12070007
  LIPID_MAPS_STRUCTURE_DATABASE

 21 25  0  0  0  0  0  0  0  0999 V2000
    6.2080    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    6.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    7.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2475    6.2588    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9273    6.6514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9273    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2475    7.8288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    6.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3337    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0606    5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0606    6.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3337    6.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2547    5.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7868    5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    7.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    6.4088    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
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070007

> <COMMON_NAME>
Neodunol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H12O4

> <MASS>
280.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UUDOMPYHVUEXEE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2

> <SMILES>
C12OC=CC1=CC1C3OC4=CC(O)=CC=C4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033743

> <CHEBI_ID>
174666

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257431

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$