LMPK12090042
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.5576    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5576    8.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    7.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072    8.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    9.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0321    7.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569    8.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0321    9.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6814    7.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6814    6.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5634    6.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4453    6.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4453    7.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5634    8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0346    6.9071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569    9.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6819    9.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2703    8.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2703    6.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0953    7.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9204    8.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9204    9.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7453    7.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    6.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  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
  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
  7 16  1  0  0  0  0
 17  1  1  0  0  0  0
 11 16  1  0  0  0  0
  8 18  1  0  0  0  0
 18  9  1  0  0  0  0
 18 19  2  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090042

> <COMMON_NAME>
3,9-Dihydroxy-1-methoxy-8-prenylcoumestan

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NPVAVSPMDJQPRK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-10(2)4-5-11-6-13-15(9-14(11)23)26-20-18(13)21(24)27-17-8-12(22)7-16(25-3)19(17)20/h4,6-9,22-23H,5H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14463173

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 181267

> <CITATION>
-

$$$$