LMPK12110803
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.8864    8.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8864    7.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7354    7.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5847    7.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5847    8.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7354    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4339    7.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2829    7.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2829    8.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4339    9.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4339    6.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7354    6.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3206    9.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2153    9.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1101    9.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1101   10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2153   11.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3206   10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0043    9.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0043   11.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7465   10.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1131    4.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    5.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1130    7.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9909    7.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9909    6.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1130    5.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    6.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    7.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    7.8486    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
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 28 23  1  1     0  0
 29 24  1  1     0  0
 26  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110803

> <COMMON_NAME>
Torosaflavone B

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O9

> <MASS>
430.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VOXHZFGNVVKUEG-IFBXYDTLSA-N

> <INCHI>
InChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-16(31-18)10-3-4-15(29-2)11(23)5-10/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3/t9-,14-,17-,21+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14445197

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$