LMPK12110822
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.4595    6.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4595    7.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    7.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    6.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598    6.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601    6.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601    7.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598    7.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5603    7.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2606    7.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9609    7.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9609    8.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2606    8.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5603    8.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    8.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3603    8.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    7.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0590    6.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0590    7.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590    7.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    6.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6575    7.2690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9575    7.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2560    7.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2560    6.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9575    8.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6514    6.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    7.9760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    5.8237    0.0000 H   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 21  2  0  0  0  0
 20  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
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 24 31  1  1  0  0  0
 23 32  1  1  0  0  0
M  END
> <LM_ID>
LMPK12110822

> <COMMON_NAME>
Torosaflavone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H16O8

> <MASS>
408.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JQIASYPXXAIEFJ-KSFYIVLOSA-N

> <INCHI>
InChI=1S/C22H16O8/c1-8-16-18-15(30-22(16)21(27)19(8)25)7-14-17(20(18)26)11(24)6-13(29-14)9-3-4-12(28-2)10(23)5-9/h3-7,16,22-23,25-26H,1-2H3/t16-,22+/m0/s1

> <SMILES>
C12C(=O)C=C(C3C=CC(OC)=C(O)C=3)OC=1C=C1O[C@@]3([H])C(=O)C(O)=C(C)[C@@]3([H])C1=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258233

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$