LMPK12050053
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0     0  0            999 V2000
    7.5987   10.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    9.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    8.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    9.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308   10.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   10.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    8.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    9.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626   10.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   10.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    7.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    7.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    8.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    7.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0026    6.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9972    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4040    7.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  2  0  0  0  0
 11 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 12  1  0  0  0  0
 17  1  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050053

> <COMMON_NAME>
Pseudobaptigenin

> <SYSTEMATIC_NAME>
3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C16H10O5

> <MASS>
282.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KNJNBKINYHZUGC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2

> <SMILES>
C1(O)C=C2OC=C(C3C=C4OCOC4=CC=3)C(=O)C2=CC=1

> <KEGG_ID>
C10522

> <HMDB_ID>
HMDB0036616

> <CHEBI_ID>
8602

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281805

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1969222

> <CITATION>
-

$$$$