LMPK12112825
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0  0  0  0  0  0  0  0999 V2000
    7.6782   12.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6983   11.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5592   11.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3993   11.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789   12.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5184   13.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2599   11.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1001   11.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0799   12.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191   13.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2760   10.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9197   13.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7968   12.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6532   13.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6324   14.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7552   14.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8990   14.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083   10.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4884   14.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5796   10.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378   12.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1772   12.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   11.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8676    9.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8531    7.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820    6.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2139    9.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4980    6.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1024    9.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9820    9.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9734    8.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0879    7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2082    8.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3226    7.7815    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
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  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>
LMPK12112825

> <COMMON_NAME>
Gomphrenol 3-glucoside

> <SYSTEMATIC_NAME>
3,5,4'-Trihydroxy-6,7-methylenedioxyflavone 3-glucoside

> <FORMULA>
C22H20O12

> <MASS>
476.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PEBSHTGUNSXVEZ-OOVDEOTFSA-N

> <INCHI>
InChI=1S/C22H20O12/c23-6-12-14(25)17(28)18(29)22(33-12)34-21-16(27)13-10(5-11-20(15(13)26)31-7-30-11)32-19(21)8-1-3-9(24)4-2-8/h1-5,12,14,17-18,22-26,28-29H,6-7H2/t12-,14-,17+,18-,22+/m1/s1

> <SMILES>
C12OCOC1=C(O)C1C(=O)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(C3C=CC(O)=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14542804

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 96455

> <CITATION>
-

$$$$