LMPK12050145
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5650    9.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5650    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    7.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    9.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    9.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    7.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    9.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    9.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266    7.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6165    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5064    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5064    7.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6165    8.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    6.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972   10.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3387    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3387    6.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6346    7.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  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
  6 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050145

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,8,3'-Trihydroxy-4'-methoxyisoflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YANXJXVKFOHHOB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-13-5-2-8(6-12(13)18)10-7-22-16-9(14(10)19)3-4-11(17)15(16)20/h2-7,17-18,20H,1H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=CC(O)=C(OC)C=C3)=COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257264

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53932

> <CITATION>
-

$$$$