LMPK12110031
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.5532    7.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986    7.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986    8.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5532    9.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6077    8.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6077    7.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    7.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894    7.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894    8.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    9.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5073    9.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3853    8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2634    9.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2634   10.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3853   10.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5073   10.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0227   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5532   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5642   10.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8932   10.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5642   11.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8732   12.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5642   12.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2281   12.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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  3  1  0  0  0  0
  7 11  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 12  9  1  0  0  0  0
 15 18  1  0  0  0  0
 19  5  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110031

> <COMMON_NAME>
Brosimacutin F

> <SYSTEMATIC_NAME>
8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H20O6

> <MASS>
356.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANTDQLWDPMSOHB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,10,18,21-22,24-25H,9H2,1-2H3

> <SMILES>
C1C=C(O)C(CC(C(C)(O)C)O)=C2OC(C3C=CC(O)=CC=3)=CC(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187391

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10871979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$