LMPK12110730
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.5342    7.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342    6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    6.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9818    6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9818    7.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    6.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4294    6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4294    7.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    5.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6283    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6283    8.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    9.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    8.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    8.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    8.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2961    9.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1384    8.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    9.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7 11  2  0  0  0  0
  9 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
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 15  1  0  0  0  0
 16 26  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110730

> <COMMON_NAME>
Desmodol

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYSJCVDFCLGDMM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-10-18(25)17-15(24)9-16(11-4-5-13(22)14(23)8-11)26-20(17)12-6-7-21(2,3)27-19(10)12/h4-9,22-23,25H,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=1C(O)=C2C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
189231

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11100628

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$