LMPK12050298
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.5784    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5784    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240    9.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9607    8.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9607    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1150    9.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    6.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107    6.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148    6.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107    8.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153    6.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4603    6.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   10.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782   11.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782   12.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   12.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107    9.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240    6.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5099    6.0606    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
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  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
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050298

> <COMMON_NAME>
Barpisoflavone B

> <SYSTEMATIC_NAME>
7,2',4'-Trihydroxy-5-methoxy-8-prenylisoflavone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RAGHIRZNTGDCED-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257317

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3873

> <CITATION>
-

$$$$