LMPK12120360
  LIPID_MAPS_STRUCTURE_DATABASE

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.8082   -5.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8044   -6.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771   -7.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3537   -6.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3575   -5.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5846   -5.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266   -7.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9032   -6.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6758   -7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4524   -6.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2317   -7.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0149   -6.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0186   -5.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2396   -5.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4564   -5.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226   -8.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0354   -5.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5733   -8.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2256   -5.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5887   -4.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4568   -3.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9362   -7.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0723   -6.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052   -8.5499    0.0000 C   0  0  0  0  0  0  0  0  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 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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0     0  0
  6 20  1  0     0  0
 20 21  1  0     0  0
  2 22  1  0     0  0
 22 23  1  0     0  0
 18 24  1  0     0  0
M  END
> <LM_ID>
LMPK12120360

> <COMMON_NAME>
Isodidymocarpin

> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-3',5',6'-trimethoxychalcone

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-1-(2,4-dihydroxy-3,5,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one

> <INCHI_KEY>
VVRYLGPIHBOLAX-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)14(20)17(23-2)15(21)18(16)24-3/h4-10,20-21H,1-3H3/b10-9+

> <SMILES>
C1(O)=C(OC)C(O)=C(C(=O)/C=C/C2C=CC=CC=2)C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21679828

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49037

> <CITATION>
-

$$$$