LMPK12130027
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.2650    7.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2650    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882    9.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116    7.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882    7.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2277    7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8229    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2277    8.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6349    9.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0610    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5679    7.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5822    7.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0890    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5822    8.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5679    8.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1013    8.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4713    6.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882    6.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6210    7.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9070    6.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2123    7.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9279    9.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    8.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7736    7.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139    7.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    8.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2263    9.0693    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 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
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
  6 20  1  0  0  0  0
 29 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  6     0  0
 25 10  1  1     0  0
 26 21  1  6     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
M  END
> <LM_ID>
LMPK12130027

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,6,4'-Trihydroxyaurone 6-rhamnoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZWKNCUQZWIAEDC-ZYRCZMEJSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(28-9)29-12-7-13(23)16-14(8-12)30-15(18(16)25)6-10-2-4-11(22)5-3-10/h2-9,17,19-24,26-27H,1H3/t9-,17-,19+,20+,21-/m0/s1

> <SMILES>
C12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607759

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071187

> <CITATION>
-

$$$$