LMPK12050101
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5876   10.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876    9.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4426    9.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2978    9.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2978   10.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4426   11.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1527    9.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0078    9.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0078   10.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1528   11.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1527    8.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8628    9.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8630    8.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6558    8.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4489    8.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4489    9.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6558    9.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3038    8.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3038    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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  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
  7 11  2  0  0  0  0
  8 12  1  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050101

> <COMMON_NAME>
Texasin

> <SYSTEMATIC_NAME>
6,7-Dihydroxy-4'-methoxyisoflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GCWOYVFHJDNKIN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3

> <SMILES>
C1(O)=CC2OC=C(C3=CC=C(OC)C=C3)C(=O)C=2C=C1O

> <KEGG_ID>
C10536

> <HMDB_ID>
HMDB0132850

> <CHEBI_ID>
9507

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281812

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149633

> <CITATION>
-

$$$$