LMPK12120061
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9898    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    7.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    8.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    8.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2156    8.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2156    7.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    9.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    9.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388    8.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0460    9.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7627    8.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7627    7.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5027    7.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2427    7.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2427    8.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5027    9.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8530    7.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5027    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2812    6.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9642    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3243    5.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6922    6.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    9.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    6.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479    5.9035    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5711    6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5711    7.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967    5.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479    5.2475    0.0000 O   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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  4 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120061

> <COMMON_NAME>
Bartericin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HJJNGNVCQLTMCE-JXMROGBWSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12136209

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$