LMPK12050255
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.5782   10.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782   10.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695   10.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695   10.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   11.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9608   10.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9608   10.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1150   11.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    8.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107    7.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148    8.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107   10.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153    8.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239    8.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4604    7.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4604   10.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3059    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1516   10.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9972    9.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1516   10.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107    6.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7967    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050255

> <COMMON_NAME>
2'-Deoxypiscerythrone

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SWPGCQOSUJNESS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-5-12-6-13(7-18(26-3)20(12)24)15-10-27-17-9-14(22)8-16(23)19(17)21(15)25/h4,6-10,22-24H,5H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20832633

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62113

> <CITATION>
-

$$$$