LMPK12120057
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0  0  0  0  0  0  0  0999 V2000
    9.8788   -6.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -6.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -5.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8788   -4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8788   -3.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1788   -6.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8788   -7.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9049   -8.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7514   -4.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7514   -3.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6171   -5.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5066   -4.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3196   -5.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3196   -6.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2506   -6.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1817   -6.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1817   -5.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2506   -4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9768   -6.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2506   -7.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3065   -8.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3065   -9.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4169   -7.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4169   -6.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8164   -8.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9049   -9.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0389   -9.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7709   -9.9016    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
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 10 28  2  0     0  0
 28 29  1  0     0  0
 28 30  1  0     0  0
M  END
> <LM_ID>
LMPK12120057

> <COMMON_NAME>
Bartericin D

> <SYSTEMATIC_NAME>
3-(2-Hydroxy-3-methyl-3-butenyl)-5'-(3-methyl-2-butenyl)-2',4,4'-trihydroxychalcone

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZDJNKVKJBADENN-JXMROGBWSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21580532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2604977

> <CITATION>
15771891

$$$$