LMPK12090009
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5514   12.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5514   11.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3702   10.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890   11.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890   12.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3702   12.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0078   10.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267   11.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267   12.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0078   12.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6451   10.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6451    9.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207    9.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3960    9.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3960   10.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207   11.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6451   12.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0103    9.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2707    9.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207    8.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    7.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    6.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5223    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2681    6.3606    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  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  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
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
 19  1  1  0  0  0  0
 12 18  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 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
M  END
> <LM_ID>
LMPK12090009

> <COMMON_NAME>
Isosojagol

> <SYSTEMATIC_NAME>
3,9-dihydroxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromen-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-10-(gamma,gamma-dimethylallyl)-coumestan; 3,9-Dihydroxy-10-prenylcoumestan

> <INCHI_KEY>
MQKLGUOASGICKG-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030141

> <CHEBI_ID>
142265

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16744613

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3886

> <CITATION>
-

$$$$