LMPK12111221
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    9.5257    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5257    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3922    7.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3922    9.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    9.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    9.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    7.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8573    9.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8573   10.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   10.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   10.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3922    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7236    8.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    7.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    9.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7236   10.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0209   12.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9896   12.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6570   10.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0437    9.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3601    8.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7059   10.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3545   11.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3411   11.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6747   10.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0261    9.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3597    8.6182    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 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  7  1  0  0  0  0
  3 17  2  0  0  0  0
 14 22  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 10 20  1  0  0  0  0
  9 21  1  0  0  0  0
 20 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 22  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>
LMPK12111221

> <COMMON_NAME>
Nepetin 4'-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKEFURJFBYTFMP-IWLDQSELSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1

> <SMILES>
C12C=C(O)C(OC)=C(O)C=1C(=O)C=C(C1C=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(O)C=1)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101035999

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$