LMPK12120589
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.3968   -5.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3968   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495   -6.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1022   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1022   -5.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495   -4.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9545   -6.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8066   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6589   -6.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5110   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3398   -6.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1682   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1682   -5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3398   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5110   -5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9545   -7.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6589   -7.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604   -4.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8818   -5.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604   -6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9548   -4.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495   -7.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3835   -8.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8209   -5.1064    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
  5 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12120589

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OZQWBGZVPYGMPN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-21-14-9-15-17(24-10-23-15)18(22-2)16(14)13(20)8-12(19)11-6-4-3-5-7-11/h3-7,9,12,19H,8,10H2,1-2H3

> <SMILES>
C12OCOC=1C(OC)=C(C(=O)CC(O)C1C=CC=CC=1)C(OC)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186768

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607729

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1442681

> <CITATION>
-

$$$$