LMPK12050203
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.7716    9.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    8.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283    7.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4850    8.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4850    9.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283    9.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417    7.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1984    8.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1984    9.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417    9.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0548    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0548    6.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9708    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    6.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9708    8.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417    6.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283    6.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8018    6.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283   10.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716   11.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150   10.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150    9.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4558   11.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.3856    0.0000 C   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
 14 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050203

> <COMMON_NAME>
Derrone

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

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZSYPWSSGRVZENH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=CC(O)=CC=3)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196362

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14704457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$