LMPK12120599
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.5442    6.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    7.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    8.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5442    9.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5976    8.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5976    7.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5442    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5442    9.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   10.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   11.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7108   12.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7108   13.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7753   13.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8397   13.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8397   12.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7753   11.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808   13.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7753   14.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653   15.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958   14.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653   16.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9987   16.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653   16.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5370   16.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3570   10.4454    0.0000 O   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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  8 26  2  0  0  0  0
M  END
> <LM_ID>
LMPK12120599

> <COMMON_NAME>
Brosimacutin I

> <SYSTEMATIC_NAME>
1-(4-Hydroxyphenyl)-3-[2,4-dihydroxy-3-(2,3-dihydroxy-3-methylbutyl)phenyl]propane-1-one

> <FORMULA>
C20H24O6

> <MASS>
360.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GWBOCBSRSSJWFR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H24O6/c1-20(2,26)18(24)11-15-17(23)10-6-13(19(15)25)5-9-16(22)12-3-7-14(21)8-4-12/h3-4,6-8,10,18,21,23-26H,5,9,11H2,1-2H3

> <SMILES>
C1(O)C=CC(C(=O)CCC2C=CC(O)=C(CC(C(C)(O)C)O)C=2O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186067

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10948388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$