LMPK12140306
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.5168    8.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5168    7.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826    7.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485    7.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485    8.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826    9.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    7.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9800    7.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9800    8.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    9.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8454    9.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7280    8.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6101    9.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6101   10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7280   10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8454   10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    6.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4923   10.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514    7.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7877    7.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242    7.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242    6.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826   10.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5168   10.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6511   10.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6511    9.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219   10.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033    9.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  1  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140306

> <COMMON_NAME>
Cajaflavanone

> <SYSTEMATIC_NAME>
2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TXWYWZHIUMRYOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC(O)=CC=3)CC(=O)C=1C(O)=C2C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037444

> <CHEBI_ID>
175259

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607935

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3821

> <CITATION>
-

$$$$