LMPK12120260
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   14.0524    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0524    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9064    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9064    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1232    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9771    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    7.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    7.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    8.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604    9.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    8.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    7.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604    7.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604    6.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6140    9.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    9.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    8.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    7.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    7.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1674    9.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604   10.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2564    9.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2564   10.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084   10.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2581    9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130   10.7611    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 18  5  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120260

> <COMMON_NAME>
Laxichalcone

> <SYSTEMATIC_NAME>
(E)-1-[5-Hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-6-yl]-3-(4-hydroxyphenyl)-2-propen-1-one

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OYKNIXGSTSXINU-JXMROGBWSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-24(2)13-11-17-21(28)20(19(27)10-7-15-5-8-16(26)9-6-15)23-18(22(17)29-24)12-14-25(3,4)30-23/h5-14,26,28H,1-4H3/b10-7+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=C2C=CC(C)(C)OC=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11502310

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53865

> <CITATION>
-

$$$$