LMPK12050508
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2354    7.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2354    6.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    6.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    7.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    7.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589    6.6555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9589    7.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    7.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6398    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6398    5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3678    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0958    5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0958    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3678    6.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    5.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    5.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7767    6.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4577    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386    6.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386    7.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8194    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589    5.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3678    7.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4277    8.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7767    5.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8367    5.6406    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
  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 25  1  0  0  0  0
 16 26  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050508

> <COMMON_NAME>
(+)-Echinoisoflavanone

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O7

> <MASS>
400.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNNYBQXTFXFCME-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(O)C2C(=O)C(O)(C3=C(OC)C(C/C=C(/C)\C)=C(OC)C=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14482999

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$