LMPK12050245
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    8.6684   10.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6684    9.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143    8.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601    9.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601   10.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143   10.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060    8.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0518    9.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0518   10.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060   10.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8974    8.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8974    7.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8017    7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7062    7.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7062    8.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8017    9.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060    7.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143    7.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5050    7.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8229   10.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0189    6.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0574    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9767   10.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9767    9.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8226    8.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4573   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.2226    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
  1 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25  2  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050245

> <COMMON_NAME>
Robustone

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

> <FORMULA>
C21H16O6

> <MASS>
364.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGSSUTVUTPLSQW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H16O6/c1-21(2)6-5-12-15(27-21)8-17-18(19(12)22)20(23)13(9-24-17)11-3-4-14-16(7-11)26-10-25-14/h3-9,22H,10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC4OCOC=4C=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188957

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5983661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$