LMPK12090007
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.6587   10.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907   10.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   10.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   10.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   10.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4647    7.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4592    7.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8659    8.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468    7.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0414    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4482    8.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8604    8.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6290    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   10.9569    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  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
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 25  2  0  0  0  0
M  END
> <LM_ID>
LMPK12090007

> <COMMON_NAME>
Psoralidin

> <SYSTEMATIC_NAME>
3,9-dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,9-Dihydroxy-2-prenylcoumestan

> <INCHI_KEY>
YABIJLLNNFURIJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3

> <SMILES>
C1(O)=CC2OC(=O)C3C4C=CC(O)=CC=4OC=3C=2C=C1C/C=C(/C)\C

> <KEGG_ID>
C10523

> <HMDB_ID>
HMDB0034050

> <CHEBI_ID>
8616

> <ABBREVIATION>
-

> <CAYMAN_ID>
15119

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281806

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 429560

> <CITATION>
-

$$$$