LMPK12112669
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
   13.1197    8.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1197    7.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9868    7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8540    7.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8540    8.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9868    9.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7211    7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5884    7.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5884    8.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7211    9.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7211    6.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4551    9.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3391    8.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2229    9.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2229   10.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3391   10.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4551   10.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2527    9.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9868    6.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2110   11.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3548    7.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3548    6.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6955    7.4429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6654    6.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1979    8.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011    9.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    9.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2403    9.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9618    8.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9439    7.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2103    8.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888    9.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7551   10.4287    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
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  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
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12112669

> <COMMON_NAME>
Isokaempferide 7-glucoside

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

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FQKGNOGAGLOTLV-UKWZQOBBSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68351

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53317532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4107

> <CITATION>
-

$$$$