LMPK12090008
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.9393    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2747    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2747    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    8.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6101    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6101    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    8.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2776    7.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2776    6.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9914    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7053    6.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7053    7.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9914    7.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494    6.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3731    6.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2779    8.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716    7.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716    6.5346    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7711    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720    5.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716    8.8477    0.0000 O   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  8  9  1  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  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090008

> <COMMON_NAME>
Psoralidin oxide

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDNQJNCZXTTZFX-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C(CC2OC2(C)C)=CC2C3OC4=CC(O)=CC=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257529

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$