LMPK12120035
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
   16.5592   -7.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5591   -5.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6181   -5.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6772   -5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6772   -7.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6181   -7.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2375   -7.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9483   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711   -6.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938   -4.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2483   -6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3182   -5.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880   -6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880   -7.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3182   -7.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2483   -7.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   -5.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789   -6.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492   -7.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3182   -4.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537   -5.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8914   -6.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6560   -7.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5362   -6.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0248   -6.6881    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
 18 22  1  1  0  0  0
 19 23  1  6  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>
LMPK12120035

> <COMMON_NAME>
Brosimacutin G

> <SYSTEMATIC_NAME>
3-(4-Hydroxyphenyl)-1-[(2S)-2,3-dihydro-3beta,4-dihydroxy-2alpha-(1-hydroxy-1-methylethyl)benzo[b]furan-5-yl]-2-propene-1-one

> <FORMULA>
C20H20O6

> <MASS>
356.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KJPLNWFZFTXFPY-FQMXMGHCSA-N

> <INCHI>
InChI=1S/C20H20O6/c1-20(2,25)19-18(24)16-15(26-19)10-8-13(17(16)23)14(22)9-5-11-3-6-12(21)7-4-11/h3-10,18-19,21,23-25H,1-2H3/b9-5+/t18-,19-/m0/s1

> <SMILES>
C1(O)C=CC(/C=C/C(C2C=CC3O[C@H](C(O)(C)C)[C@@H](O)C=3C=2O)=O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186168

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11325738

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$