LMPK12160001
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    6.8750    8.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750    8.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6898    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5043    8.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5043    8.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6898    9.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1339    8.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    9.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9483    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9483    6.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8192    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6905    6.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6905    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8192    8.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1339    8.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6898    6.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288    8.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    6.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6471    6.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2385    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6471    7.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2432    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7458    6.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7458    7.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4825    7.0665    0.0000 O   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  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 10  1  0  0  0  0
  8 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 15  1  0  0  0  0
  7 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160001

> <COMMON_NAME>
Lupinalbin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O7

> <MASS>
368.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YZFMCGFSQWFYCY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O7/c1-20(2,24)14-7-10-12(25-14)4-3-9-15-17(23)16-11(22)5-8(21)6-13(16)26-19(15)27-18(9)10/h3-6,14,21-22,24H,7H2,1-2H3

> <SMILES>
C1(O)=CC2OC3OC4C(=CC=C5OC(C(O)(C)C)CC5=4)C=3C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260097

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$