LMPK12113185
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5668   12.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556   11.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3902   10.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359   11.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   12.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0704   10.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161   11.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9272   12.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   12.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618   10.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7725   12.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230   12.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4849   12.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4962   13.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6458   14.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7837   13.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708   10.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3579   14.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3793    9.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569   15.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142   13.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0689   13.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6466   10.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9801    8.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4397    6.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1663    9.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045    6.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9385    9.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8763    9.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0422    8.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2720    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3341    8.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5639    7.5240    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  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
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 19  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12113185

> <COMMON_NAME>
Corniculatusin 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBKIRGQPEXVXGB-MUBWEJBWSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-19-11(27)5-10(26)13-15(29)21(35-22-17(31)16(30)14(28)12(6-23)33-22)18(34-20(13)19)7-2-3-8(24)9(25)4-7/h2-5,12,14,16-17,22-28,30-31H,6H2,1H3/t12-,14-,16+,17-,22+/m1/s1

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21722018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$