LMPK12120394
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.7294    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7294    6.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    6.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2268    6.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2268    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    8.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    6.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7242    6.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7242    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4356    6.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0705    6.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    6.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4356    5.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5632    6.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0605    6.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0605    7.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5632    7.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    5.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4626    5.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3763    7.9672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9762    7.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921    8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    5.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2517    5.0955    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  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120394

> <COMMON_NAME>
7-Methoxypraecansone B

> <SYSTEMATIC_NAME>
6'',6''-Dimethylpyrano[2'',3'':4',3']-2',6',beta-trimethoxychalcone

> <FORMULA>
C23H24O5

> <MASS>
380.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLIBVTLWIJEYNK-AQTBWJFISA-N

> <INCHI>
InChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-

> <SMILES>
C1(C)(C)OC2C=C(OC)C(C(=O)/C=C(\OC)/C3C=CC=CC=3)=C(OC)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66706

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10452362

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$