LMPK12050443
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5661    9.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5661    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    7.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    9.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    9.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671    7.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    9.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671    9.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7342    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7342    6.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5169    6.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5169    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256    8.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671    6.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    6.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3506    6.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   10.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975   11.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050443

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NHKRWDZHHWTCAH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-16-14(21)13(20)12(19)10-11(18)9(6-23-15(10)16)7-2-4-8(17)5-3-7/h2-6,17,19-21H,1H3

> <SMILES>
C1(O)C(O)=C(O)C2C(=O)C(C3=CC=C(O)C=C3)=COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257374

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1037036

> <CITATION>
-

$$$$