LMPK12111467
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   16.2975   10.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2975    9.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2083    8.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1191    9.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1191   10.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2083   10.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3868    8.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4759    9.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5651    8.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5651    7.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4759    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3868    7.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6543    9.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7437    8.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7437    7.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6543    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4759    6.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328    9.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6543    6.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0185   10.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6543   10.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151    7.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0949    8.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6732    7.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    7.9231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516    9.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4197   10.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0143   11.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386    9.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588    8.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601    8.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    9.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4255   10.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0111   11.3713    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
  4 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29 18  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12111467

> <COMMON_NAME>
Zeravschanoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XRZMSYNUNCTBSQ-KKPQBLLMSA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-11-13(26)15(28)17(30)21(33-11)34-20-16(29)14(27)12-9(25)4-10(32-19(12)18(20)31)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-24,26-31H,5H2/t11-,13-,15+,17-,21+/m1/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=C(O)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(O)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13577328

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$