LMPK12120069
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.5987    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   10.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   10.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9289    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3929    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9289    6.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9289    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3929    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2590    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2590    8.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1251    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1251   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9912    9.3606    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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 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
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120069

> <COMMON_NAME>
Anthyllin

> <SYSTEMATIC_NAME>
5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TZWDALZQPXBPLH-UXBLZVDNSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-15(2)5-7-18-11-17(12-19(25(18)30)13-23(28)16(3)4)6-10-22(27)21-9-8-20(26)14-24(21)29/h5-6,8-12,14,23,26,28-30H,3,7,13H2,1-2,4H3/b10-6+

> <SMILES>
C1C(O)=C(C(/C=C/C2C=C(CC(C(C)=C)O)C(O)=C(C/C=C(/C)\C)C=2)=O)C=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607535

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 181246

> <CITATION>
-

$$$$