LMPK12140476
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.8811    6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    6.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692    7.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811    6.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    6.9862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9454    7.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3215    7.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273    6.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7332    7.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7332    8.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273    8.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3215    8.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    8.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273    6.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692    8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811    8.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811    9.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692    9.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    8.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3652    8.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 28  1  0  0  0  0
  6 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140476

> <COMMON_NAME>
Kenusanone E

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O7

> <MASS>
400.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SABJGAJVBSRRQW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O7/c1-11(2)5-6-13-18(28-4)9-16(25)21-17(26)10-19(29-22(13)21)20-14(23)7-12(27-3)8-15(20)24/h5,7-9,19,23-25H,6,10H2,1-4H3

> <SMILES>
C1C(OC)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(OC)=CC=3O)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197160

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608023

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$