LMPK12140571
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.5208   -6.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   -8.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1904   -7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1904   -6.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   -6.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0252   -8.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601   -7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601   -6.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0252   -6.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6949   -6.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5529   -6.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   -6.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5529   -4.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6949   -5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601   -5.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   -9.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0252   -9.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2458   -4.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6859   -6.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199   -6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  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  1  1  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  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
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMPK12140571

> <COMMON_NAME>
Sakuranetin

> <SYSTEMATIC_NAME>
(2S)-4',5-dihydroxy-7-methoxyflavan-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Naringenin 7-methyl ether

> <INCHI_KEY>
DJOJDHGQRNZXQQ-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1

> <SMILES>
C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1

> <KEGG_ID>
C09833

> <HMDB_ID>
HMDB0030090

> <CHEBI_ID>
28927

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73571

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 16719

> <CITATION>
-

$$$$