LMPK12110185
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.3628    6.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3628    7.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    8.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    6.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1220    6.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    6.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    7.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219    8.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6272    7.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3863    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3863    9.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6272    9.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680    9.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1220    5.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8445    6.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8445    7.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    5.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8445    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    9.0401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5496    9.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0925    9.4276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0750   10.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5275   10.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   10.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0925   11.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335   12.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335   11.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568   11.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1102    9.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8237    9.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0002    9.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    9.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085   10.3351    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 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 26  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 20 31  1  6  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110185

> <COMMON_NAME>
Polystachin (flavone)

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H26O8

> <MASS>
466.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOELSRBWPWTRTK-SMFUYQKNSA-N

> <INCHI>
InChI=1S/C26H26O8/c1-14(27)32-25(26(3,4)34-15(2)28)17-13-31-21-12-20(30-5)23-18(29)11-19(33-24(23)22(17)21)16-9-7-6-8-10-16/h6-12,17,25H,13H2,1-5H3/t17-,25?/m1/s1

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]([H])(C(C(C)(OC(C)=O)C)OC(C)=O)COC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$