LMPK12020036
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.6013    8.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013    7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    7.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3397    7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3397    8.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    9.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2091    7.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0783    7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0783    8.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2091    9.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9032    7.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8522    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7315    8.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6109    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6109   10.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7315   10.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8522   10.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4892   10.8382    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
  3 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020036

> <COMMON_NAME>
Epiafzelechin

> <SYSTEMATIC_NAME>
(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RSYUFYQTACJFML-UKRRQHHQSA-N

> <INCHI>
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1

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

> <KEGG_ID>
C12128

> <HMDB_ID>
HMDB0030822

> <CHEBI_ID>
31028

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443639

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162640

> <CITATION>
-

$$$$