LMPK12111554
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.6536    8.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6536    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5083    7.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    8.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5083    9.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176    7.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0722    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0722    8.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176    9.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9263    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8321    8.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7377    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7377   10.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8321   10.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9263   10.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7995    9.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176    6.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6427   10.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6427    8.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7367    7.5192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509   10.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   12.3440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3989   13.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770   10.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9686   13.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4002   10.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5249   10.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5264   11.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003   12.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2755   11.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1495   12.3396    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
  9 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
  8 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  6  1  1     0  0
M  END
> <LM_ID>
LMPK12111554

> <COMMON_NAME>
Fisetin 8-C-glucoside

> <SYSTEMATIC_NAME>
3,7,3',4'-Tetrahydroxyflavone 8-C-glucopyranoside

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-C-Glucosylfisetin

> <INCHI_KEY>
GVDZEEZFEKPWPL-GOXGMXGVSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2/t12-,15-,16+,18-,21+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=C(O)C=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
C10042

> <HMDB_ID>
-

> <CHEBI_ID>
5065

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281615

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071187

> <CITATION>
-

$$$$