LMPK12140053
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.9020    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7506    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    8.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7506    8.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9020    8.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2963    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2963    8.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478    8.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1441    8.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0147    8.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8851    8.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8851    9.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0147   10.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1441    9.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534    8.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7506    9.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9020   10.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534    9.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1901   10.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7557   10.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7557   11.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8851   11.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0147   11.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7565   11.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0619   12.5289    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>
(2S)-2,3-Dihydro-8,8-dimethyl-2-(2,2-dimethyl-2H-1-benzopyran-6-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <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; 132433

> <CITATION>
-

$$$$