LMPK12111541
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.8355    6.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8403    7.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520    6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    7.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5638    7.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1238    7.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979    7.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097    6.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097    5.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    7.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8634    5.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6962    5.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2884    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2884    7.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6962    7.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8634    7.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125    8.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6962    9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8634    9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4470    8.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2330    9.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055    6.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0149    6.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  2  7  2  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  1  2  0  0  0  0
 10 11  1  0  0  0  0
  3 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  5  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 22 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111541

> <COMMON_NAME>
Cyclointegrin

> <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>
LRBWGBCDUCRXLG-UHFFFAOYSA-N

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

> <SMILES>
C12=C(O)C=C(OC)C=C1OC1C3C=CC(O)=CC=3OC(C)(C)CCC=1C2=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030686

> <CHEBI_ID>
175721

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258672

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$