LMPK12113175
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5122   11.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5187   10.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    9.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807   10.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1741   11.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3398   11.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0151    9.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427   10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8361   11.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015   11.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0203    8.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6633   11.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5138   11.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3570   11.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3501   12.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5001   13.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565   12.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8165    9.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1936   13.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    8.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4932   14.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3330   12.5226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8049   11.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7019    9.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2263    8.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8631    6.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3981    7.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8433    5.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776    8.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5204    9.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2835    8.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1020    7.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1592    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9778    6.0653    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
 18  8  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
  1 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 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  1     0  0
M  END
> <LM_ID>
LMPK12113175

> <COMMON_NAME>
Ranupenin 3-galactoside

> <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>
XHJUTGOKRFRRGS-UFJVGALSSA-N

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

> <SMILES>
C1(OC)=C(O)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>
178336279

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$