LMPK12120551
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.5657    8.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    7.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3416    7.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3416    8.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    9.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2862    7.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2862    6.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542    8.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0441    9.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9321    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8201    9.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8201   10.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9321   10.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0441   10.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1819    9.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7793    9.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    6.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5820   11.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1649   12.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1453   11.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1819   10.4856    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  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  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
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  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 15  1  0  0  0  0
 20 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120551

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone

> <FORMULA>
C19H20O6

> <MASS>
344.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LWJGUEYGORYCIG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H20O6/c1-21-13-9-17(22-2)19(18(10-13)23-3)14(20)6-4-12-5-7-15-16(8-12)25-11-24-15/h5,7-10H,4,6,11H2,1-3H3

> <SMILES>
C1(OC)C=C(OC)C(C(=O)CCC2C=C3OCOC3=CC=2)=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9997593

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1712206

> <CITATION>
12576653

$$$$