LMPK12111540
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.8633    7.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680    8.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867    6.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3198    7.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3245    8.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5987    8.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    8.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0552    8.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446    8.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4116    8.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068    7.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303    6.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5037    8.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5009    9.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7748    9.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521    9.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303    5.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867    5.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2291    9.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    6.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4489    6.6996    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7849    7.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8693    5.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1413    5.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5978    6.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898    5.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7283    8.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.0764    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
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111540

> <COMMON_NAME>
Oxyisocyclointegrin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O7

> <MASS>
384.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CLBXZXANZHXYLN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O7/c1-21(2,25)17-9-13-19(24)18-14(23)7-11(26-3)8-16(18)28-20(13)12-5-4-10(22)6-15(12)27-17/h4-8,17,22-23,25H,9H2,1-3H3

> <SMILES>
C12=C(O)C=C(OC)C=C1OC1C3=CC=C(O)C=C3OC(C(O)(C)C)CC=1C2=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030621

> <CHEBI_ID>
175892

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258671

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$