LMPK12050213
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    9.0481    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0481    8.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8957    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7434    8.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7434    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8957    9.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4385    8.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4385    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    9.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2861    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2861    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1924    6.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0985    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0985    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1924    8.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    9.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    6.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8957   10.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0485   11.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048    6.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9111    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9111    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048    8.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2220   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7114   11.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8957    6.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4005    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8899    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.0432    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  2  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  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 24  2  0  0  0  0
 24 15  1  0  0  0  0
 20 25  1  0  0  0  0
 25 17  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  3 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050213

> <COMMON_NAME>
Ulexone D

> <SYSTEMATIC_NAME>
9-Hydroxy-2-methyl-2-(hydroxymethyl)-7-(2,2-dimethyl-2H-1-benzopyran-6-yl)-1,5-dioxaphenanthren-8(2H)-one

> <FORMULA>
C25H22O6

> <MASS>
418.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FECHDMKKULRSDG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H22O6/c1-24(2)8-6-15-10-14(4-5-19(15)30-24)17-12-29-23-16-7-9-25(3,13-26)31-20(16)11-18(27)21(23)22(17)28/h4-12,26-27H,13H2,1-3H3

> <SMILES>
C12OC(C)(CO)C=CC=1C1OC=C(C3=CC4C=CC(C)(C)OC=4C=C3)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14583603

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3902

> <CITATION>
-

$$$$