LMPK12111560
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.6511    8.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6512    7.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4884    7.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4884    8.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698    9.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4071    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    7.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    8.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4069    9.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4071    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2440    9.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1874    8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1166    9.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1025   10.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1589   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2301   10.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2440    7.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9803   10.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7206   11.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4469   10.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4303    8.8783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8365    9.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6295    7.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8421   10.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7122   10.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5769   10.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5685    9.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6984    8.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6900    7.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1456   11.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0049   12.3873    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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 20 15  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 16 32  1  0     0  0
 32 33  1  0     0  0
M  END
> <LM_ID>
LMPK12111560

> <COMMON_NAME>
Geraldol 4'-glucoside

> <SYSTEMATIC_NAME>
3,7,4'-Trihydroxy-3'-methoxyflavone 4'-glucoside

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARIJAWIBNLZFOX-RXJMTZKZSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-14-6-9(21-19(28)16(25)11-4-3-10(24)7-13(11)31-21)2-5-12(14)32-22-20(29)18(27)17(26)15(8-23)33-22/h2-7,15,17-18,20,22-24,26-29H,8H2,1H3/t15-,17-,18+,20-,22-/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258683

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3900; 33090

> <CITATION>
-

$$$$