LMPK12112709
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.0884    9.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0883    8.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9951    7.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9016    8.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9016    9.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9951    9.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8081    7.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7147    8.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7147    9.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8081    9.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8081    6.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6212    9.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5452    9.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4692    9.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4692   10.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5452   11.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6212   10.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1822    9.9113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3759   11.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5452   12.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6212    7.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9951    6.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5278    8.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2845    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    8.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1676    8.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835    9.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6870   10.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2110   11.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1837    9.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    9.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1820    9.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6885   10.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1965   11.6633    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 15  1  0  0  0  0
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
  3 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112709

> <COMMON_NAME>
Caryatin 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetin 3,5-dimethyl ether 7-glucoside

> <INCHI_KEY>
GZQVJMGMSOKJRV-BPAZWDACSA-N

> <INCHI>
InChI=1S/C23H24O12/c1-31-13-6-10(33-23-20(30)19(29)17(27)15(8-24)35-23)7-14-16(13)18(28)22(32-2)21(34-14)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17-,19+,20-,23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259667

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$