LMPK12140711
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
   -4.4312    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4312   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6991    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    2.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1882    0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972    1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    0.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  9  1  0     0  0
 12 15  1  6     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 15  2  0     0  0
  6 21  1  0     0  0
  6 22  1  0     0  0
 14 23  2  0     0  0
 10 24  1  0     0  0
 12 25  1  1     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMPK12140711

> <COMMON_NAME>
Brandisianone F

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HMSNDSPXEDHRTP-NRFANRHFSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-20(2)10-9-14-16(25-20)11-17-18(19(14)23)15(22)12-21(24-3,26-17)13-7-5-4-6-8-13/h4-11,23H,12H2,1-3H3/t21-/m0/s1

> <SMILES>
O1C(C)(C)C=CC2=C(O)C3C(=O)C[C@@](OC)(C4=CC=CC=C4)OC=3C=C12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119396

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1993599

> <CITATION>
33397155

$$$$