LMPK12160034
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    8.9720    9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9720    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017    7.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6313    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6313    9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017    9.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4610    7.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2907    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2907    9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4610    9.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204    7.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204    6.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0074    6.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8944    6.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8944    7.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0074    8.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204    9.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    9.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4977    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    7.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5396    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4610    6.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8686    6.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4708    7.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8686    7.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017   10.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0932   11.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017    6.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8673    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  7 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 15  1  0  0  0  0
  6 28  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160034

> <COMMON_NAME>
Thonningine A

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H18O8

> <MASS>
422.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DHHUFQCTMOFVTD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H18O8/c1-10(2)14-8-12-19(26-3)17-18(24)16(11-5-6-13-15(7-11)29-9-28-13)23(25)31-21(17)22(27-4)20(12)30-14/h5-8,24H,1,9H2,2-4H3

> <SMILES>
C12OC(C(=C)C)=CC1=C(OC)C1C(O)=C(C3C=C4OCOC4=CC=3)C(=O)OC=1C=2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193491

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54715763

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53626

> <CITATION>
-

$$$$