LMPK12160012
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0     0  0            999 V2000
    6.8855    9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8855    8.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    7.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358    8.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358    9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    9.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    7.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    8.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    9.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    7.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    6.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7753    6.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7753    7.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932    8.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    9.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6567    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    6.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8721    9.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    6.6621    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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 15  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
> <LM_ID>
LMPK12160012

> <COMMON_NAME>
Lupinalbin A

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

> <FORMULA>
C15H8O6

> <MASS>
284.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BBBAWACESCACAP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-15-12(8)14(19)13-9(18)3-7(17)5-11(13)21-15/h1-5,16-18H

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5324349

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$