LMPK12020247
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    6.8826    7.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5268    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5268    7.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7049    7.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3489    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1711    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1711    7.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3489    7.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932    7.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8312    7.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6689    7.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6689    8.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8312    9.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932    8.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4910    9.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8312   10.3599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1109   11.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  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  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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020247

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-7,3'-dimethoxyflavan

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TVAVOTKWLPPGTE-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14017331

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3805

> <CITATION>
-

$$$$