LMPK12050300
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.5727    9.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5727    8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2534    8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2534    9.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    9.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9343    8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9343    9.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    9.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7744    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7744    6.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6729    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5715    6.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5715    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6729    8.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    6.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4692    6.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    6.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131   10.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5729   11.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5729   12.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   12.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131   12.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5729   13.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6729    9.4723    0.0000 O   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050300

> <COMMON_NAME>
2,3-Dehydrokievitone hydrate

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YPJVZUCLYTYXEP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-9,21-24,26H,5-6H2,1-2H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1CCC(O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10904774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3873

> <CITATION>
-

$$$$