LMPK12050077
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
    7.8601   10.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6952    8.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5302    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5302   10.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6953   10.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3652    8.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002   10.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3652   10.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355    8.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355    7.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9281    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8210    7.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8210    8.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9281    9.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3652    7.8478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251   10.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6952   11.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   12.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251   11.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   12.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425    6.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1679    6.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    7.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6560    9.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7286    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    7.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18  1  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 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
 12 29  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050077

> <COMMON_NAME>
Ferrugone

> <SYSTEMATIC_NAME>
3-(2,5-Dimethoxy-3,4-methylenedioxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C23H20O7

> <MASS>
408.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RSVWXUPJBWWEJY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O7/c1-23(2)8-7-12-16(30-23)6-5-13-18(24)15(10-27-19(12)13)14-9-17(25-3)21-22(20(14)26-4)29-11-28-21/h5-10H,11H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=C(OC)C4OCOC=4C=3OC)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
324529

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 113247

> <CITATION>
-

$$$$