LMPK12050154
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842    6.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842    8.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527    6.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7370    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7370    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527    8.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    6.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    5.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8845    5.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8845    6.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    6.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527    5.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842    5.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687    5.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6340    5.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  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
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050154

> <COMMON_NAME>
Pallidiflorin

> <SYSTEMATIC_NAME>
5-Hydroxy-4'-methoxyisoflavone

> <FORMULA>
C16H12O4

> <MASS>
268.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YCUNGEJJOMKCGZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O4/c1-19-11-7-5-10(6-8-11)12-9-20-14-4-2-3-13(17)15(14)16(12)18/h2-9,17H,1H3

> <SMILES>
C1C=C(O)C2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320382

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$