LMPK12020258
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    7.5824    9.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5824    8.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    7.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2821    8.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2821    9.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    9.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1319    7.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9819    8.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9819    9.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1319    9.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8317    9.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6978    9.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5641    9.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5641   10.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6978   11.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8317   10.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    6.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  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
  3 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020258

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-5-methoxyflavan

> <FORMULA>
C16H16O3

> <MASS>
256.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UNCVBXFEZHBZKN-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3/t14-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14885875

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 323063

> <CITATION>
-

$$$$