LMPK12110797
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.6979    7.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    8.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    8.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    8.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    8.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    8.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    9.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557   10.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    9.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847   10.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    8.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    8.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7992    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    5.2475    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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25  6  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110797

> <COMMON_NAME>
Ciliatin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FZANCCSFDNGROR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)7-6-12-14(23)9-18-19(20(12)27-21)15(24)10-16(26-18)11-4-5-13(22)17(8-11)25-3/h4-5,8-10,22-23H,6-7H2,1-3H3

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=C(OC)C=3)OC=1C=C(O)C1CCC(C)(C)OC=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258210

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$