LMPK12050319
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5709    9.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5709    8.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2482    8.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2482    9.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0869    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    8.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    9.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0869    9.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639    7.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639    6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5572    6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5572    7.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6606    8.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0869    6.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    6.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    8.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    9.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5572    9.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6606    9.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195   10.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3963   10.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4531    6.0612    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  1  0  0  0  0
  8  9  2  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050319

> <COMMON_NAME>
Sophoraisoflavone A

> <SYSTEMATIC_NAME>
3-(2,2-Dimethyl-5-hydroxy-2H-1-benzopyran-8-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Allolicoisoflavone B

> <INCHI_KEY>
RIDRQWKYWXHAOD-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=C4OC(C)(C)C=CC4=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10383349

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$