LMPK12140138
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   10.1962    8.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1962    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    7.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0214    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0214    8.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    9.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9342    7.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8469    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8469    8.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9342    9.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7590    9.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6891    8.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6193    9.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6193   10.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6891   11.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7590   10.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9342    6.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2840    9.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2698    7.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292    6.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081    7.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5504    9.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4164    9.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4093    8.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5362    7.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6758    8.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6829    9.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8223    9.5460    0.0000 C   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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 28 23  1  0     0  0
 23 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  6     0  0
 24 18  1  1     0  0
 25 20  1  6     0  0
 26 21  1  6     0  0
 27 22  1  1     0  0
M  END
> <LM_ID>
LMPK12140138

> <COMMON_NAME>
Pinocembrin 7-O-rhamnoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O8

> <MASS>
402.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CQMSSODSJYBGIQ-NFWKTRTLSA-N

> <INCHI>
InChI=1S/C21H22O8/c1-10-18(24)19(25)20(26)21(27-10)28-12-7-13(22)17-14(23)9-15(29-16(17)8-12)11-5-3-2-4-6-11/h2-8,10,15,18-22,24-26H,9H2,1H3/t10-,15?,18-,19+,20+,21-/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607856

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$