LMPK12140127
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7087    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7087    7.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5968    6.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4847    7.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4847    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5968    9.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728    6.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2610    7.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2610    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728    9.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0916    8.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9797    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9797   10.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0916   10.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038   10.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5968    6.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0916    7.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8109    8.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8755    8.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5118    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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140127

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2',3'-Trihydroxy-7-methoxyflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WNVIBRHBJSWDLA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-8-5-11(18)15-12(19)7-13(22-14(15)6-8)9-3-2-4-10(17)16(9)20/h2-6,13,17-18,20H,7H2,1H3

> <SMILES>
C1(OC)C=C2OC(C3C=CC=C(O)C=3O)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 198827

> <CITATION>
-

$$$$