LMPK12120404
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0422    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9133    7.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9133    9.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    7.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    6.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977    7.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2688    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1400    7.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0112    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0112    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1400    9.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2688    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977    6.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6744    6.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041   10.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7038   10.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977    9.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822    9.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1400    6.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0112    6.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120404

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITIDHIOFTQUBBQ-GRSHGNNSSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-13-8-17(23-2)20(18(9-13)24-3)19(25-4)10-14(21)12-5-6-15-16(7-12)27-11-26-15/h5-10H,11H2,1-4H3/b19-10-

> <SMILES>
C12OCOC1=CC(C(/C=C(\OC)/C1C(OC)=CC(OC)=CC=1OC)=O)=CC=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607654

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1712206

> <CITATION>
12576653

$$$$