LMPK12090012
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.8321   12.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8321   11.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7075   10.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827   11.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827   12.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7075   12.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4581   10.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3332   11.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3332   12.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4581   12.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6681    9.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6732    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845   10.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8197   12.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2674    8.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2725    8.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6835    9.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0896   10.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4503    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4555    7.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667    8.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7544    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4204    6.9178    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
  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
  9 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 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 17  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090012

> <COMMON_NAME>
Sojagol

> <SYSTEMATIC_NAME>
2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-7-one

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Soyagol

> <INCHI_KEY>
GSAVLDZAGYKJSO-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC(=O)C3C4C=CC5OC(C)(C)CCC=5C=4OC=3C=2C=C1

> <KEGG_ID>
C10529

> <HMDB_ID>
HMDB0034027

> <CHEBI_ID>
9183

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281809

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3916

> <CITATION>
-

$$$$