LMPK12113258
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.7737    7.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675    5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    7.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675    7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550    5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487    7.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550    7.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425    7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9496    6.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565    7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565    8.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9496    8.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425    8.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425    5.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9496    9.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675    8.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737    8.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    8.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737    9.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    9.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862    9.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    7.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3503    8.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2413    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113258

> <COMMON_NAME>
Gossypetin 7,4'-dimethyl ether 8-butyrate

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HYDIJDDPYJAFHX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-4-5-15(24)29-20-14(28-3)9-12(23)16-17(25)18(26)19(30-21(16)20)10-6-7-13(27-2)11(22)8-10/h6-9,22-23,26H,4-5H2,1-3H3

> <SMILES>
C1(OC)=C(OC(CCC)=O)C2OC(C3C=C(O)C(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260030

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$