LMPK12111338
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   11.5972    9.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5972    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4691    7.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    9.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4691    9.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2130    7.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0849    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0849    9.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2130    9.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2130    6.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4691    6.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1506    9.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0695    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9883    9.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9883   10.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0695   11.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1506   10.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9066   11.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4691   10.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7743    9.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1328    9.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1734   10.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6373    6.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9038    5.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1756    6.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9036    8.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4127    7.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7732    7.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7732    6.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9036    6.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0397    6.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0397    7.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1756    8.0260    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
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 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
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 29  2  1  1     0  0
M  END
> <LM_ID>
LMPK12111338

> <COMMON_NAME>
Swertisin 8-methyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O11

> <MASS>
476.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Precatorin I

> <INCHI_KEY>
LRJVZJKYYZEITI-NLMIBYRWSA-N

> <INCHI>
InChI=1S/C23H24O11/c1-31-21-15(20-19(30)18(29)16(27)13(8-24)34-20)17(28)14-11(26)7-12(33-22(14)23(21)32-2)9-3-5-10(25)6-4-9/h3-7,13,16,18-20,24-25,27-30H,8H2,1-2H3/t13-,16-,18+,19-,20+/m1/s1

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102120185

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$