LMPK12050287
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    8.7358   10.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    9.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    8.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5205    9.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5205   10.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283   10.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4129    8.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3051    9.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3051   10.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4129   10.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442   10.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4129    8.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1967    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1967    7.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0242    7.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8520    7.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8520    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0242    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6779    7.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    7.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2623    7.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442    7.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    7.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050287

> <COMMON_NAME>
Luteone (isoflavone)

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMPVAPMCVABQPS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3

> <SMILES>
C1(O)=CC2OC=C(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1C/C=C(/C)\C

> <KEGG_ID>
C10498

> <HMDB_ID>
HMDB0036595

> <CHEBI_ID>
27917

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281797

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3873

> <CITATION>
-

$$$$