LMPK12160033
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.9639    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9639    8.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187    8.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913    9.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4461    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2734    8.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2734    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4461    9.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1008    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1008    6.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9854    6.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8700    6.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8700    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9854    8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1008    9.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    9.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4936    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4461    6.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6974    6.1302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7602    6.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913   10.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0793   11.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913    6.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  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
  6 27  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160033

> <COMMON_NAME>
Thonningine B

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H20O7

> <MASS>
408.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JFOIHGHOZIMXTP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O7/c1-11(2)15-10-14-19(27-4)17-18(24)16(12-6-8-13(26-3)9-7-12)23(25)30-21(17)22(28-5)20(14)29-15/h6-10,24H,1H2,2-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193357

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54715762

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53626

> <CITATION>
-

$$$$