LMPK12020240
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2486    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2486    5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    6.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3311    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0253    5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0253    6.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3311    6.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7195    6.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    6.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346    6.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346    7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7195    7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    7.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288    7.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    8.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5077    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020240

> <COMMON_NAME>
7,4'-Dihydroxy-3'-methoxy-8-methylflavan

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ATVCDSNHSGVQSG-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-10-13(18)6-3-11-5-8-15(21-17(10)11)12-4-7-14(19)16(9-12)20-2/h3-4,6-7,9,15,18-19H,5,8H2,1-2H3/t15-/m0/s1

> <SMILES>
C1(O)=C(C)C2O[C@H](C3C=C(OC)C(O)=CC=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257176

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$