LMPK12140564
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0            999 V2000
    9.8081   -5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8081   -6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951   -7.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5821   -6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5821   -5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951   -4.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4692   -7.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3561   -6.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3561   -5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4692   -4.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2427   -4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1466   -5.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0507   -4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0507   -3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1466   -3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2427   -3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4692   -7.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9899   -3.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212   -4.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212   -3.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373  -10.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0038  -11.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756  -10.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0036   -8.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -8.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8732   -8.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8732   -9.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0036  -10.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1397   -9.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1397   -8.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756   -8.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951   -8.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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  6  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
  1 19  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
  3 32  1  0     0  0
 26 32  1  1     0  0
M  END
> <LM_ID>
LMPK12140564

> <COMMON_NAME>
Sakuranin

> <SYSTEMATIC_NAME>
(2S)-5-(beta-D-Glucopyranosyloxy)-4'-hydroxy-7-methoxyflavan-4-one

> <FORMULA>
C22H24O10

> <MASS>
448.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NEPMMBQHELYZIW-YMTXFHFDSA-N

> <INCHI>
InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
348162

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3754

> <CITATION>
-

$$$$