LMPK12120169
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0            999 V2000
    9.7363   -5.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7363   -6.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6505   -7.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5648   -6.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5648   -5.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6505   -5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4784   -7.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3901   -6.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3001   -7.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2077   -6.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0962   -7.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9847   -6.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9847   -5.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0962   -5.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2077   -5.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4784   -8.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6505   -8.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8226   -5.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9361   -7.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8728   -7.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8732   -5.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0521   -6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530   -7.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -7.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155   -5.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2275   -4.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -4.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -5.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3813   -6.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3817   -6.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -5.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2330   -4.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613   -3.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 19  2  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 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  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 28 18  1  1     0  0
M  END
> <LM_ID>
LMPK12120169

> <COMMON_NAME>
Okanin 4-methyl ether 4'-glucoside

> <SYSTEMATIC_NAME>
3,2',3',4'-Tetrahydroxy-4-methoxychalcone 4'-glucoside

> <FORMULA>
C22H24O11

> <MASS>
464.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QUGFZLLBKBSAGW-CVOAYDCWSA-N

> <INCHI>
InChI=1S/C22H24O11/c1-31-14-6-3-10(8-13(14)25)2-5-12(24)11-4-7-15(18(27)17(11)26)32-22-21(30)20(29)19(28)16(9-23)33-22/h2-8,16,19-23,25-30H,9H2,1H3/b5-2+/t16-,19-,20+,21-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(C(=O)/C=C/C2C=CC(OC)=C(O)C=2)=C(O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162670212

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 980026

> <CITATION>
-

$$$$