LMPK12020024
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.6174    8.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6174    7.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    6.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    7.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    8.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    8.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2734    6.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    7.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    8.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2734    8.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9470    8.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8425    8.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7381    8.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7381    9.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8425   10.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9470    9.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8425   11.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6325    8.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 11  1  0  0  0  0
  8 12  1  6  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020024

> <COMMON_NAME>
(2R,3R)-3,5,7,3',5'-Pentahydroxyflavan

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O6

> <MASS>
290.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MKXNQWPXEHIMRX-UKRRQHHQSA-N

> <INCHI>
InChI=1S/C15H14O6/c16-8-1-7(2-9(17)3-8)15-13(20)6-11-12(19)4-10(18)5-14(11)21-15/h1-5,13,15-20H,6H2/t13-,15-/m1/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C=C(O)C=3)[C@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196281

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257055

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162796

> <CITATION>
-

$$$$