LMPK12020263
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    6.9211    8.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9211    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    8.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    9.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5035    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3643    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3643    8.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5035    9.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2248    9.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1023    8.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9795    9.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9795   10.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1023   10.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2248   10.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8566   10.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7173   10.0645    0.0000 C   0  0  0  0  0  0  0  0  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  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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020263

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dihydroxy-4'-methoxyflavan

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TZKJYXVKIZDLJU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-19-12-4-2-10(3-5-12)15-7-6-13-14(18)8-11(17)9-16(13)20-15/h2-5,8-9,15,17-18H,6-7H2,1H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC)=CC=3)CCC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180152

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25232840

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2662159

> <CITATION>
8201315

$$$$