LMPK12140599
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.0051   -6.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -5.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0051   -7.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -7.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7308   -7.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7308   -6.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5791   -7.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4273   -7.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4273   -6.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5791   -5.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2753   -5.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1208   -6.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9665   -5.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9665   -4.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1208   -4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2753   -4.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4273   -5.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   -6.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748   -6.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -7.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5791   -8.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1208   -7.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -8.8446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -9.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2548   -7.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  3  1  0  0  0  0
  7 21  2  0  0  0  0
 12 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0     0  0
 22 25  1  0     0  0
M  END
> <LM_ID>
LMPK12140599

> <COMMON_NAME>
Betagarin

> <SYSTEMATIC_NAME>
6,7-Dihydro-9-methoxy-6-(2-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(S)-2',5-Dimethoxy-6,7-methylenedioxyflavanone

> <INCHI_KEY>
IHPVFYLOGNNZLA-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1

> <SMILES>
C12OCOC1=C(OC)C1C(=O)C[C@@]([H])(C3C=CC=CC=3OC)OC=1C=2

> <KEGG_ID>
C09479

> <HMDB_ID>
-

> <CHEBI_ID>
27679

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442261

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 161934

> <CITATION>
-

$$$$