LMPK12113183
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.5215    8.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5215    7.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    7.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3138    7.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3138    8.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    9.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101    7.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1061    7.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1061    8.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101    9.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101    6.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    9.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9153    8.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8287    9.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8287   10.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9153   11.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019   10.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    7.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9153   12.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7697   11.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240   10.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    9.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8821    8.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315   10.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5985   12.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7575   14.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5873   12.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775   14.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0073   11.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0111   11.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   12.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1743   13.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704   13.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   13.8202    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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 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 22  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>
LMPK12113183

> <COMMON_NAME>
Ranupenin 8-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>
LEOBQMJSFAJIDQ-DCAXLZGCSA-N

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

> <SMILES>
C1(OC)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259982

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$