LMPK12160006
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.5249   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249    9.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    8.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1719    9.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1719   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484   10.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9954    8.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8188    9.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8188   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9954   10.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6421    8.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6421    7.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5226    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4030    7.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4030    8.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5226    9.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978    7.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3748    7.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5320   10.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    7.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017   10.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    8.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    7.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802    7.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2826    9.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1622    8.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0418    9.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0418   10.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9213    8.7298    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
  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
  9 19  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  0  0  0  0
  1 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
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160006

> <COMMON_NAME>
Lupinalbin F

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6,3'-diprenylcoumaronochromone

> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WNJJWUYKQKUQED-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-12(2)5-7-14-18(27)11-19-21(22(14)28)23(29)20-16-9-10-17(26)15(8-6-13(3)4)24(16)31-25(20)30-19/h5-6,9-11,26-28H,7-8H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178576

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260100

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$