LMPK12050062
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5756   10.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756    9.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190    8.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2623    9.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2623   10.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190   10.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1056    8.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    9.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489   10.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1056   10.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7919    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7919    7.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6936    7.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5953    7.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5953    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6936    9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1056    7.9889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4962    7.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6936    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4962    9.4826    0.0000 O   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  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
  1 11  1  0  0  0  0
  8 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050062

> <COMMON_NAME>
Baptigenin

> <SYSTEMATIC_NAME>
7,3',4',5'-Tetrahydroxyisoflavone

> <FORMULA>
C15H10O6

> <MASS>
286.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFVNYAXYZNDLIY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O6/c16-8-1-2-9-13(5-8)21-6-10(14(9)19)7-3-11(17)15(20)12(18)4-7/h1-6,16-18,20H

> <SMILES>
C1(O)=CC2OC=C(C3C=C(O)C(O)=C(O)C=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9965663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49797

> <CITATION>
-

$$$$