LMPK12160002
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    9.6816    9.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6816    8.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5023    7.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3231    8.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3231    9.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5023    9.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1438    7.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645    8.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645    9.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1438    9.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7849    7.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7849    6.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625    6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5399    6.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5399    7.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625    8.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1462    6.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5085    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    9.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2233    8.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    7.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2760    8.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    7.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    9.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6718    9.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5023    6.6856    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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  2  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 16  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160002

> <COMMON_NAME>
Lupinalbin C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O7

> <MASS>
368.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OUXVZUSNVCVRFP-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C3C4C(OC=3OC=1C=2)=CC(O)=CC=4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14309762

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$