LMPK12050320
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    7.8840    9.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    7.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766    9.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    9.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2694    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2694    9.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231    9.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1157    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1157    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0205    6.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9254    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9254    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0205    8.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231    6.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    9.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7717    6.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303   10.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843   11.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0205    9.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   10.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5492   11.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    6.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8174    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  2  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050320

> <COMMON_NAME>
Barpisoflavone C

> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-5-methoxy-6",6"-dimethylpyrano[2",3":7,8]isoflavone

> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBCXSBCMGKGGJW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-21(2)7-6-13-16(27-21)9-17(25-3)18-19(24)14(10-26-20(13)18)12-5-4-11(22)8-15(12)23/h4-10,22-23H,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3=C(O)C=C(O)C=C3)C(=O)C=1C(OC)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15082186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3873

> <CITATION>
-

$$$$