LMPK12050278
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    9.0426    9.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    8.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8925    7.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424    8.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424    9.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8925    9.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5924    7.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423    8.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423    9.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5924    9.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2920    7.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2920    6.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1095    6.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1095    7.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1092    9.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5323    8.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1092    8.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8925    6.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5924    6.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0174    6.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512    8.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    9.5076    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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050278

> <COMMON_NAME>
Lupinisoflavone A

> <SYSTEMATIC_NAME>
(+)-6-(2,4-Dihydroxyphenyl)-2,3-dihydro-4-hydroxy-2-(1-methylethenyl)-5H-furo[3,2-g][1]benzopyran-5-one

> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DOGAHANJPKBCGB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3

> <SMILES>
C12OC(C(C)=C)CC1=C(O)C1C(=O)C(C3=C(O)C=C(O)C=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038127

> <CHEBI_ID>
175503

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319901

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$