LMPK12020257
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5833    9.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833    8.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845    8.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845    9.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1351    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9857    8.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9857    9.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1351    9.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7032    9.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5701    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5701   10.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7032   11.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   10.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    6.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    6.0607    0.0000 C   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
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020257

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-5-methoxy-6-methylflavan

> <FORMULA>
C17H18O3

> <MASS>
270.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PZRKAAPKQGONFG-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C17H18O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-7,10,15,18H,8-9H2,1-2H3/t15-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC=CC=3)CCC=2C(OC)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168558

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10333337

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 323063

> <CITATION>
-

$$$$