LMPK12110913
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.5506    8.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    6.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9845    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9845    8.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    8.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7015    6.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    8.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7015    8.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7015    6.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966    8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966    9.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    9.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2584    9.7432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    6.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    6.9414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8519    7.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9557    5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    6.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9557    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506    9.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    8.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   10.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.2016    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
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 22  2  0  0  0  0
  6 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  1  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110913

> <COMMON_NAME>
Cyclomorusin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H22O6

> <MASS>
418.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cyclomulberrochromene

> <INCHI_KEY>
GDQXJMLXEYSICD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3C4C=CC(O)=CC=4OC(/C=C(/C)\C)C=3C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030687

> <CHEBI_ID>
132868

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481969

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$