LMPK12060068
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0     0  0            999 V2000
    7.8554   10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554    9.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883    9.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212    9.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883   11.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3541    9.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1871    9.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1871   10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3541   11.1058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0197    9.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0197    8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9102    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008    8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008    9.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9102    9.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3541    8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9506   10.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0199   11.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883   12.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554   12.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0224   12.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0224   11.1058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5416   12.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6337    7.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9305    8.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9102    6.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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
  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  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 14 26  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060068

> <COMMON_NAME>
Dehydrodeguelin

> <SYSTEMATIC_NAME>
9,10-Dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one

> <FORMULA>
C23H20O6

> <MASS>
392.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7a,13a-Didehydrodeguelin

> <INCHI_KEY>
NGQVFILFHVPLFE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C=3C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186773

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3083803

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$