LMPK12113208
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.4687    8.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4687    7.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298    7.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1907    7.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1907    8.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0518    7.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9127    7.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9127    8.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0518    9.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0518    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7739    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6515    8.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5288    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5288   10.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6515   10.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7739   10.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7739    7.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6515   11.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298   10.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    9.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3898   10.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2509   10.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    8.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4488   11.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1142   13.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589   14.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9360   11.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1985   14.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1616   11.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2211   11.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0548   12.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8271   13.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7676   12.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5401   13.6087    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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0     0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 21  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12113208

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

> <SYSTEMATIC_NAME>
3,5,8,3'-Tetrahydroxy-7,4'-dimethoxyflavone 8-glucoside

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Tambuletin

> <INCHI_KEY>
ASUGSTOITALCMH-IEYRQQLISA-N

> <INCHI>
InChI=1S/C23H24O13/c1-32-11-4-3-8(5-9(11)25)20-18(30)16(28)14-10(26)6-12(33-2)21(22(14)35-20)36-23-19(31)17(29)15(27)13(7-24)34-23/h3-6,13,15,17,19,23-27,29-31H,7H2,1-2H3/t13-,15-,17+,19-,23+/m1/s1

> <SMILES>
C1(OC)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)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>
9936050

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 67937

> <CITATION>
-

$$$$