LMPK12050204
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.5058   12.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599   10.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2139   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2139   12.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599   12.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0680   10.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9220   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9220   12.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0680   12.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7757   10.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7757    9.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889    9.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6022    9.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6022   10.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889   11.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0680    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6517   12.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977   12.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6517   10.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5767   13.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889    8.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6012    7.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6012    6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5134    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5144    9.2212    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  2  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  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050204

> <COMMON_NAME>
Chandalone

> <SYSTEMATIC_NAME>
5-Hydroxy-7-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSKODIWLGXEVTN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-14(2)5-6-16-11-15(7-8-19(16)26)18-13-29-21-12-20-17(9-10-25(3,4)30-20)23(27)22(21)24(18)28/h5,7-13,26-27H,6H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(O)=C(C/C=C(\C)/C)C=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12302850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1225699

> <CITATION>
-

$$$$