LMPK12050459
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    6.9102    9.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9102    8.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100    8.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100    9.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601    9.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3099    8.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3099    9.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    9.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1595    7.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1595    6.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9771    6.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9771    7.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682    8.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    6.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8779    6.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   10.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9105   11.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9105   12.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   12.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610   12.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682    9.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9105   13.0165    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  1  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
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050459

> <COMMON_NAME>
5-Deoxykievitone hydrate

> <SYSTEMATIC_NAME>
7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone

> <FORMULA>
C20H22O6

> <MASS>
358.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BYQKGWSQMLLYGJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H22O6/c1-20(2,25)8-7-13-16(22)6-5-14-18(24)15(10-26-19(13)14)12-4-3-11(21)9-17(12)23/h3-6,9,15,21-23,25H,7-8,10H2,1-2H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(O)C=C(O)C=C3)COC=2C=1CCC(O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038113

> <CHEBI_ID>
175606

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257380

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3915

> <CITATION>
-

$$$$