LMPK12140053
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.5192    6.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2193    5.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    6.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2193    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5192    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6195    5.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3195    6.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3195    6.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6195    7.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0189    7.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6195    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7372    6.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4553    7.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4553    8.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7372    8.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0189    8.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191    7.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2193    8.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5192    8.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191    8.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1735    8.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1735    9.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4553    9.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7372    9.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9992    9.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4261   10.3364    0.0000 C   0  0  0  0  0  0  0  0  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
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 16  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140053

> <COMMON_NAME>
Xambioona

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O4

> <MASS>
388.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGJUXFVUOCKRCY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O4/c1-24(2)11-9-16-13-15(5-7-20(16)28-24)22-14-19(26)17-6-8-21-18(23(17)27-22)10-12-25(3,4)29-21/h5-13,22H,14H2,1-4H3

> <SMILES>
C1C2OC(C)(C)C=CC=2C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14769500

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$