LMPK12020279
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    8.7083    7.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8135    7.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6030    7.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6030    8.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7083    9.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8135    8.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4977    7.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3923    7.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3923    8.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4977    9.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2946    9.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1894    8.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0841    9.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0841   10.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1894   11.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2946   10.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8449   10.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1894   11.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4719   12.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    9.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7083    6.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8652    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  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  2  2  0  0  0  0
  3  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  4  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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020279

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan

> <FORMULA>
C18H20O5

> <MASS>
316.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFWQJKIQUYCNBC-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C18H20O5/c1-20-12-9-16(21-2)13-5-7-15(23-17(13)10-12)11-4-6-14(19)18(8-11)22-3/h4,6,8-10,15,19H,5,7H2,1-3H3/t15-/m0/s1

> <SMILES>
C1(OC)=C2CC[C@@H](C3C=C(OC)C(O)=CC=3)OC2=CC(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186507

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10495608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1982039

> <CITATION>
-

$$$$