LMPK12120220
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0  0  0  0  0  0  0  0999 V2000
   10.0013    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    8.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5736    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7170    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7170    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    8.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    8.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    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  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  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
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120220

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3'-Neryl-2',4',6'-trihydroxychalcone

> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQNDIDYSUDPHEU-LMVSBANXSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-17(2)8-7-9-18(3)12-14-20-22(27)16-23(28)24(25(20)29)21(26)15-13-19-10-5-4-6-11-19/h4-6,8,10-13,15-16,27-29H,7,9,14H2,1-3H3/b15-13+,18-12-

> <SMILES>
C1(O)C=C(O)C(C(/C=C/C2C=CC=CC=2)=O)=C(O)C=1C/C=C(\CC/C=C(/C)\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607592

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$