LMPK12160005
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    8.5480   10.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480    9.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    8.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2104    9.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2104   10.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793   10.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    8.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728    9.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   10.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7037    8.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7037    7.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    7.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4809    7.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4809    8.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    9.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728   10.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   10.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    7.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6019   10.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    7.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3760    7.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    8.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    7.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8881    7.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8881    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7937    0.0000 C   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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160005

> <COMMON_NAME>
Lupinalbin B

> <SYSTEMATIC_NAME>
1,3,8-Trihydroxy-2- (3-methyl-2-butenyl) -11H-benzofuro [ 2,3-b ] [ 1 ] benzopyran-11-one

> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NOYRXEKDLRHOOL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-9(2)3-5-11-13(22)8-15-17(18(11)23)19(24)16-12-6-4-10(21)7-14(12)25-20(16)26-15/h3-4,6-8,21-23H,5H2,1-2H3

> <SMILES>
C1(O)=CC2OC3OC4C(=CC=C(O)C=4)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14309761

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$