LMPK12111436
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   14.1418   10.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1418    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0538    8.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9659    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9659   10.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0538   10.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2298    8.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179    9.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4058    8.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4058    7.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179    7.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2298    7.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819    8.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819    7.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938    7.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6699    9.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938    6.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8664   10.9492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938   10.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8098    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8629    7.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3575   11.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163   13.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2071   13.8319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9210   11.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6040   13.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9210   11.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3529   11.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7846   12.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799   12.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3480   12.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3434   12.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
 13 21  1  0  0  0  0
 18 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 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 21  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>
LMPK12111436

> <COMMON_NAME>
Isothymusin 8-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XZMJYQJEDADTPS-FTVHLUNLSA-N

> <INCHI>
InChI=1S/C23H24O12/c1-31-20-16(28)14-11(26)7-12(9-3-5-10(25)6-4-9)33-19(14)22(21(20)32-2)35-23-18(30)17(29)15(27)13(8-24)34-23/h3-7,13,15,17-18,23-25,27-30H,8H2,1-2H3/t13-,15-,17+,18-,23+/m1/s1

> <SMILES>
C1C=C(O)C=CC=1C1=CC(=O)C2C(O)=C(OC)C(OC)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101949505

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$