LMPK12111839
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.2672    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672    7.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    6.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932    7.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    8.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    6.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194    7.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    8.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    6.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322    8.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589    8.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2857    8.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2857    9.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589    9.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322    9.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    6.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9728    6.9895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9404    6.9895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4131    6.4343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4442    5.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5280    6.3814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9404    6.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9742    7.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8795    6.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0121    9.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5172    5.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  7 11  2  0  0  0  0
  9 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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 21 25  1  6  0  0  0
 20 26  1  1  0  0  0
 22 27  1  1  0  0  0
 27  8  1  0  0  0  0
 15 28  1  0  0  0  0
 24 29  1  6  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111839

> <COMMON_NAME>
Juglanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O10

> <MASS>
418.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POQICXMTUPVZMX-UXYNSRGZSA-N

> <INCHI>
InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
167534

> <ABBREVIATION>
-

> <CAYMAN_ID>
39824

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318717

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$