LMPK12113180
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.5621    9.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5621    8.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    7.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2218    8.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2218    9.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    9.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0515    7.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    8.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    9.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0515    9.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0515    6.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7109    9.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5565    9.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4022    9.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4022   10.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5565   11.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7109   10.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8481    7.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2478   11.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    6.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5565   12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920   10.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4794    6.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2908    4.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739    3.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8437    5.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    3.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7554    6.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5709    5.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4751    4.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667    4.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7511    4.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8426    4.5459    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
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
  6 23  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 19  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>
LMPK12113180

> <COMMON_NAME>
Gossypetin 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TYEYAUURGXCDJR-GCXHAQMISA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-11-14(28)16(30)17(31)21(32-11)34-20-15(29)12-9(25)4-10(26)13(27)19(12)33-18(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,16-17,21-28,30-31H,5H2/t11-,14-,16+,17-,21+/m1/s1

> <SMILES>
C1(O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$